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7BVQ
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BU of 7bvq by Molmil
Structure of human beta1 adrenergic receptor bound to carazolol
Descriptor: (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol, (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-11
Release date:2020-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BU6
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BU of 7bu6 by Molmil
Structure of human beta1 adrenergic receptor bound to norepinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl octanoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-04
Release date:2020-12-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
7BTS
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BU of 7bts by Molmil
Structure of human beta1 adrenergic receptor bound to epinephrine and nanobody 6B9
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Xu, X, Kaindl, J, Clark, M, Hubner, H, Hirata, K, Sunahara, R, Gmeiner, P, Kobilka, B.K, Liu, X.
Deposit date:2020-04-02
Release date:2020-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Binding pathway determines norepinephrine selectivity for the human beta 1 AR over beta 2 AR.
Cell Res., 31, 2021
6N48
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BU of 6n48 by Molmil
Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive allosteric modulator
Descriptor: (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate, 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl)ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one, Camelid Antibody Fragment, ...
Authors:Liu, X, Masoudi, A, Kahsai, A.W, Huang, L.Y, Pani, B, Hirata, K, Ahn, S, Lefkowitz, R.J, Kobilka, B.K.
Deposit date:2018-11-17
Release date:2019-06-26
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Mechanism of beta2AR regulation by an intracellular positive allosteric modulator.
Science, 364, 2019
6OBA
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BU of 6oba by Molmil
The beta2 adrenergic receptor bound to a negative allosteric modulator
Descriptor: (2S)-1-[(1-methylethyl)amino]-3-(2-prop-2-en-1-ylphenoxy)propan-2-ol, 6-bromo-N~2~-phenylquinazoline-2,4-diamine, Beta-2 adrenergic receptor,Lysozyme,Beta-2 adrenergic receptor, ...
Authors:Liu, X, Stobel, A, Kaindl, J, Dengler, D, ClarK, M, Mahoney, J, Korczynska, M, Matt, R.A, Hubner, H, Xu, X, Stanek, M, Hirata, K, Shoichet, B, Sunahara, R, Gmeiner, R, Kobilka, B.K.
Deposit date:2019-03-20
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:An allosteric modulator binds to a conformational hub in the beta2adrenergic receptor.
Nat.Chem.Biol., 16, 2020
7C86
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BU of 7c86 by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: Dark state structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, RETINAL, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2020-05-28
Release date:2021-04-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
7E6Z
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BU of 7e6z by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 50 microsecond structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
7E6Y
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BU of 7e6y by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 1 microsecond structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
7E6X
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BU of 7e6x by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 4 ms structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
7E71
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BU of 7e71 by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 1 ms structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
7E70
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BU of 7e70 by Molmil
Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin: 250 microsecond structure
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Archaeal-type opsin 1,Archaeal-type opsin 2, ...
Authors:Oda, K, Nomura, T, Nakane, T, Yamashita, K, Inoue, K, Ito, S, Vierock, J, Hirata, K, Maturana, A.D, Katayama, K, Ikuta, T, Ishigami, I, Izume, T, Umeda, R, Eguma, R, Oishi, S, Kasuya, G, Kato, T, Kusakizako, T, Shihoya, W, Shimada, H, Takatsuji, T, Takemoto, M, Taniguchi, R, Tomita, A, Nakamura, R, Fukuda, M, Miyauchi, H, Lee, Y, Nango, E, Tanaka, R, Tanaka, T, Sugahara, M, Kimura, T, Shimamura, T, Fujiwara, T, Yamanaka, Y, Owada, S, Joti, Y, Tono, K, Ishitani, R, Hayashi, S, Kandori, H, Hegemann, P, Iwata, S, Kubo, M, Nishizawa, T, Nureki, O.
Deposit date:2021-02-24
Release date:2021-04-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Time-resolved serial femtosecond crystallography reveals early structural changes in channelrhodopsin.
Elife, 10, 2021
2ZUR
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BU of 2zur by Molmil
Crystal Structure of Rh(nbd)/apo-Fr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, Ferritin light chain, ...
Authors:Abe, S, Hirata, K, Ueno, T, Shimizu, N, Yamamoto, M, Takata, M, Watanabe, Y.
Deposit date:2008-10-28
Release date:2009-06-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Polymerization of phenylacetylene by rhodium complexes within a discrete space of apo-ferritin
J.Am.Chem.Soc., 131, 2009
5GX3
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BU of 5gx3 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 6.9 MGy (6th measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
5GQK
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BU of 5gqk by Molmil
Crystal structure of Cypovirus Polyhedra mutant with deletion of Gly192-Ala194
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Polyhedrin
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GQN
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BU of 5gqn by Molmil
Crystal structure of in cellulo Cypovirus Polyhedra mutant with deletion of Gly192-Ala194
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Polyhedrin
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GX5
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BU of 5gx5 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 26 MGy (23rd measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
5GX1
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BU of 5gx1 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 1.1 MGy (1st measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
5GQI
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BU of 5gqi by Molmil
Crystal structure of Cypovirus Polyhedra mutant with deletion of Ala194
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GQL
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BU of 5gql by Molmil
Crystal structure of Wild Type Cypovirus Polyhedra
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GX2
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BU of 5gx2 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 3.4 MGy (3rd measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
5GQJ
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BU of 5gqj by Molmil
Crystal structure of Cypovirus Polyhedra mutant with deletion of Ser193 and Ala194
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, ...
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GQM
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BU of 5gqm by Molmil
Crystal structure of in cellulo Wild Type Cypovirus Polyhedra
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Abe, S, Tabe, H, Ijiri, H, Yamashita, K, Hirata, K, Mori, H, Ueno, T.
Deposit date:2016-08-07
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal Engineering of Self-Assembled Porous Protein Materials in Living Cells
ACS Nano, 11, 2017
5GX4
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BU of 5gx4 by Molmil
Luciferin-regenerating enzyme collected with serial synchrotron rotational crystallography with accumulated dose of 14 MGy (12th measurement)
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, GLYCEROL, Luciferin regenerating enzyme, ...
Authors:Hasegawa, K, Yamashita, K, Murai, T, Nuemket, N, Hirata, K, Ueno, G, Ago, H, Nakatsu, T, Kumasaka, T, Yamamoto, M.
Deposit date:2016-09-15
Release date:2017-01-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Development of a dose-limiting data collection strategy for serial synchrotron rotation crystallography
J Synchrotron Radiat, 24, 2017
7DVO
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BU of 7dvo by Molmil
Structure of Reaction Intermediate of Cytochrome P450 NO Reductase (P450nor) Determined by XFEL
Descriptor: GLYCEROL, NADP nitrous oxide-forming nitric oxide reductase, NITRIC OXIDE, ...
Authors:Nomura, T, Kimura, T, Kanematsu, Y, Yamashita, K, Hirata, K, Ueno, G, Murakami, H, Hisano, T, Yamagiwa, R, Takeda, H, Gopalasingam, C, Yuki, K, Kousaka, R, Yanagasawa, S, Shoji, O, Kumasaka, T, Takano, Y, Ago, H, Yamamoto, M, Sugimoto, H, Tosha, T, Kubo, M, Shiro, Y.
Deposit date:2021-01-14
Release date:2021-05-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Short-lived intermediate in N 2 O generation by P450 NO reductase captured by time-resolved IR spectroscopy and XFEL crystallography.
Proc.Natl.Acad.Sci.USA, 118, 2021
4CCR
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BU of 4ccr by Molmil
Crystal structure of the thioredoxin reductase apoenzyme from Entamoeba histolytica in the absence of the NADP cofactor
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, THIOREDOXIN REDUCTASE
Authors:Parsonage, D, Kells, P.M, Hirata, K, Debnath, A, Poole, L.B, McKerrow, J.H, Reed, S.L, Podust, L.M.
Deposit date:2013-10-25
Release date:2014-11-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:X-Ray Structures of Thioredoxin and Thioredoxin Reductase from Entamoeba Histolytica and Prevailing Hypothesis of the Mechanism of Auranofin Action.
J.Struct.Biol., 194, 2016

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