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PDB: 59 results

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
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
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
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
8HYI
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BU of 8hyi by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine
Descriptor: 2-(2-methyl-5-phenyl-1H-indole-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2023-01-06
Release date:2023-08-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Modulation of a conformational ensemble by a small molecule that inhibits key protein-protein interactions involved in cell adhesion.
Protein Sci., 32, 2023
7CME
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BU of 7cme by Molmil
Crystal structure of human P-cadherin MEC12 (X dimer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3, ...
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
7CMF
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BU of 7cmf by Molmil
Crystal structure of human P-cadherin REC12 (monomer) in complex with 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine (inhibitor)
Descriptor: 2-(5-chloro-2-methyl-1H-indol-3-yl)ethan-1-amine, CALCIUM ION, Cadherin-3
Authors:Senoo, A, Ito, S, Ueno, G, Nagatoishi, S, Tsumoto, K.
Deposit date:2020-07-27
Release date:2021-09-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Regulation of cadherin dimerization by chemical fragments as a trigger to inhibit cell adhesion
Commun Biol, 4, 2021
7BS5
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BU of 7bs5 by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Cryo)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS4
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BU of 7bs4 by Molmil
Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Cryo)
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRV
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BU of 7brv by Molmil
Bovine Pancreatic Trypsin with 4-Bromobenzamidine (Room Temperature)
Descriptor: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Takeda, R, Ito, S, Maeki, M, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS7
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BU of 7bs7 by Molmil
Bovine Pancreatic Trypsin with aniline (Cryo)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS3
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BU of 7bs3 by Molmil
Bovine Pancreatic Trypsin with 4-Bromo-benzamidine (Cryo)
Descriptor: 4-bromanylbenzenecarboximidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS6
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BU of 7bs6 by Molmil
Bovine Pancreatic Trypsin with 2-Methyltryptamine (Cryo)
Descriptor: 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BSA
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BU of 7bsa by Molmil
Bovine Pancreatic Trypsin with 5-Chlorotryptamine (Cryo)
Descriptor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS8
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BU of 7bs8 by Molmil
Bovine Pancreatic Trypsin with Benzamidine (Cryo)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS2
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BU of 7bs2 by Molmil
Bovine Pancreatic Trypsin with serotonin (Room Temperature)
Descriptor: CALCIUM ION, Cationic trypsin, SEROTONIN, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS1
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BU of 7bs1 by Molmil
Bovine Pancreatic Trypsin with benzamidine (Room Temperature)
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS9
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BU of 7bs9 by Molmil
Bovine Pancreatic Trypsin with serotonin (Cryo)
Descriptor: CALCIUM ION, Cationic trypsin, DIMETHYL SULFOXIDE, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRY
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BU of 7bry by Molmil
Bovine Pancreatic Trypsin with 6-Methoxytryptamine (Room Temperature)
Descriptor: 2-(6-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRX
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BU of 7brx by Molmil
Bovine Pancreatic Trypsin with 5-Methoxytryptamine (Room Temperature)
Descriptor: 2-(5-methoxy-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRZ
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BU of 7brz by Molmil
Bovine Pancreatic Trypsin with 2-Methyltryptamine (Room Temperature)
Descriptor: 2-(2-methyl-1H-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin, ...
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BRW
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BU of 7brw by Molmil
Bovine Pancreatic Trypsin with 5-chlorotryptamine (Room Temperature)
Descriptor: 2-(5-chloranyl-1~{H}-indol-3-yl)ethanamine, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
7BS0
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BU of 7bs0 by Molmil
Bovine Pancreatic Trypsin with aniline (Room Temperature)
Descriptor: ANILINE, CALCIUM ION, Cationic trypsin
Authors:Maeki, M, Ito, S, Takeda, R, Funakubo, T, Ueno, G, Ishida, A, Tani, H, Yamamoto, M, Tokeshi, M.
Deposit date:2020-03-30
Release date:2020-08-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Room-temperature crystallography using a microfluidic protein crystal array device and its application to protein-ligand complex structure analysis.
Chem Sci, 11, 2020
5X1F
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BU of 5x1f by Molmil
CO bound cytochrome c oxidase without pump laser irradiation at 278K
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
Authors:Shimada, A, Kubo, M, Baba, S, Yamashita, K, Hirata, K, Ueno, G, Nomura, T, Kimura, T, Shinzawa-Itoh, K, Baba, J, Hatano, K, Eto, Y, Miyamoto, A, Murakami, H, Kumasaka, T, Owada, S, Tono, K, Yabashi, M, Yamaguchi, Y, Yanagisawa, S, Sakaguchi, M, Ogura, T, Komiya, R, Yan, J, Yamashita, E, Yamamoto, M, Ago, H, Yoshikawa, S, Tsukihara, T.
Deposit date:2017-01-25
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:A nanosecond time-resolved XFEL analysis of structural changes associated with CO release from cytochrome c oxidase.
Sci Adv, 3, 2017

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