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5WQC
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BU of 5wqc by Molmil
Crystal structure of human orexin 2 receptor bound to the selective antagonist EMPA determined by the synchrotron light source at SPring-8.
Descriptor: N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide, OLEIC ACID, Orexin receptor type 2,GlgA glycogen synthase,Orexin receptor type 2, ...
Authors:Suno, R, Hirata, K, Yamashita, K, Tsujimoto, H, Sasanuma, M, Horita, S, Yamamoto, M, Rosenbaum, D.M, Iwata, S, Shimamura, T, Kobayashi, T.
Deposit date:2016-11-25
Release date:2017-11-29
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal Structures of Human Orexin 2 Receptor Bound to the Subtype-Selective Antagonist EMPA
Structure, 26, 2018
6M2L
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BU of 6m2l by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with C3361
Descriptor: (2S,3R,4S,5R,6R)-6-(hydroxymethyl)-4-undec-10-enoxy-oxane-2,3,5-triol, Hexose transporter 1
Authors:Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
Deposit date:2020-02-27
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.7 Å)
Cite:Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
4RNG
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BU of 4rng by Molmil
Crystal structure of a bacterial homologue of SWEET transporters
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, MtN3/saliva family, SULFATE ION
Authors:Hu, Q, Wang, J, Yan, C, Yan, N.
Deposit date:2014-10-24
Release date:2014-11-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a bacterial homologue of SWEET transporters.
Cell Res., 24, 2014
4UP3
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BU of 4up3 by Molmil
Crystal structure of the mutant C140S,C286Q thioredoxin reductase from Entamoeba histolytica
Descriptor: 1,2-ETHANEDIOL, FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M, Vieira, D.F.
Deposit date:2014-06-11
Release date:2015-07-01
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.44 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
6GTL
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BU of 6gtl by Molmil
Achromobacter cycloclastes copper nitrite reductase at pH 6.0
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
Authors:Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2018-06-18
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
6GTI
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BU of 6gti by Molmil
Achromobacter cycloclastes copper nitrite reductase at pH 5.0
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
Authors:Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2018-06-18
Release date:2019-07-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
6GTK
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BU of 6gtk by Molmil
Achromobacter cycloclastes copper nitrite reductase at pH 5.5
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
Authors:Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2018-06-18
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
6GTJ
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BU of 6gtj by Molmil
Neutron crystal structure for copper nitrite reductase from Achromobacter Cycloclastes at 1.8 A resolution
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase
Authors:Antonyuk, S.V, Blakeley, M.P, Halsted, T.P, Eady, R.R, Hasnain, S.S.
Deposit date:2018-06-18
Release date:2019-07-03
Last modified:2024-01-17
Method:NEUTRON DIFFRACTION (1.801 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
6GTN
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BU of 6gtn by Molmil
Achromobacter cycloclastes copper nitrite reductase at pH 6.5
Descriptor: COPPER (II) ION, Copper-containing nitrite reductase, MALONATE ION, ...
Authors:Halsted, T.P, Eady, R.R, Antonyuk, S.V, Hasnain, S.S.
Deposit date:2018-06-18
Release date:2019-07-03
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Catalytically important damage-free structures of a copper nitrite reductase obtained by femtosecond X-ray laser and room-temperature neutron crystallography.
Iucrj, 6, 2019
5B2G
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BU of 5b2g by Molmil
Crystal structure of human claudin-4 in complex with C-terminal fragment of Clostridium perfringens enterotoxin
Descriptor: Endolysin,Claudin-4, Heat-labile enterotoxin B chain
Authors:Shinoda, T, Kimura-Someya, T, Shirouzu, M, Yokoyama, S.
Deposit date:2016-01-15
Release date:2016-10-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural basis for disruption of claudin assembly in tight junctions by an enterotoxin
Sci Rep, 6, 2016
6IJY
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BU of 6ijy by Molmil
Crystal structure of human MTH1(G2K/C87A/C104S mutant) in complex with 8-oxo-dGTP determined using a crystal obtained under microgravity
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, GLYCEROL, ...
Authors:Nakamura, T, Yamagata, Y.
Deposit date:2018-10-12
Release date:2019-02-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:X-ray Structure Analysis of Human Oxidized Nucleotide Hydrolase MTH1 using Crystals Obtained under Microgravity.
Int. J. Microgravity Sci. Appl., 36, 2019
4PI3
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BU of 4pi3 by Molmil
Crystal structure analysis of cruzain bound to vinyl sulfone analog of WRR-483 (WRR-666)
Descriptor: Cruzipain, N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide
Authors:Tochowicz, A, McKerrow, J.H.
Deposit date:2014-05-08
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Synthesis and Evaluation of Oxyguanidine Analogues of the Cysteine Protease Inhibitor WRR-483 against Cruzain.
Acs Med.Chem.Lett., 7, 2016
6M20
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BU of 6m20 by Molmil
Crystal structure of Plasmodium falciparum hexose transporter PfHT1 bound with glucose
Descriptor: Hexose transporter 1, beta-D-glucopyranose, nonyl beta-D-glucopyranoside
Authors:Jiang, X, Yuan, Y.Y, Zhang, S, Wang, N, Yan, C.Y, Yan, N.
Deposit date:2020-02-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Blocking Sugar Uptake into the Malaria Parasite Plasmodium falciparum.
Cell, 183, 2020
5B3T
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BU of 5b3t by Molmil
Crystal structure of apo-form biliverdin reductase from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-12
Release date:2017-02-15
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3V
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BU of 5b3v by Molmil
Crystal structure of biliverdin reductase in complex with biliverdin and NADP+ from Synechocystis sp. PCC 6803
Descriptor: BILIVERDINE IX ALPHA, Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.594 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
5B3U
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BU of 5b3u by Molmil
Crystal structure of biliverdin reductase in complex with NADP+ from Synechocystis sp. PCC 6803
Descriptor: Biliverdin reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHOSPHATE ION
Authors:Takao, H, Wada, K.
Deposit date:2016-03-13
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.698 Å)
Cite:A substrate-bound structure of cyanobacterial biliverdin reductase identifies stacked substrates as critical for activity
Nat Commun, 8, 2017
8W1V
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BU of 8w1v by Molmil
The beta2 adrenergic receptor bound to a bitopic ligand
Descriptor: (2S)-1-[(3-{1-[4-(4-{(2S)-2-hydroxy-3-[(propan-2-yl)amino]propoxy}phenyl)butyl]-1H-1,2,3-triazol-4-yl}propyl)amino]-3-(2-propylphenoxy)propan-2-ol, Beta-2 adrenergic receptor,Endolysin, Lauryl Maltose Neopentyl Glycol, ...
Authors:Gaiser, B, Danielsen, M, Xu, X, Jorgensen, K, Fronik, P, Marcher-Rorsted, E, Wrobe, T, Hirata, K, Liu, X, Mathiesen, J, Pedersen, D.
Deposit date:2024-02-19
Release date:2024-07-17
Last modified:2024-07-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:Bitopic Ligands Support the Presence of a Metastable Binding Site at the beta 2 Adrenergic Receptor.
J.Med.Chem., 67, 2024
7BI1
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BU of 7bi1 by Molmil
XFEL crystal structure of soybean ascorbate peroxidase compound II
Descriptor: Ascorbate peroxidase, POTASSIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E.
Deposit date:2021-01-12
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
7BIU
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BU of 7biu by Molmil
XFEL crystal structure of cytochrome c peroxidase compound II
Descriptor: Cytochrome c peroxidase, mitochondrial, HEME C
Authors:Kwon, H, Tosha, T, Sugimoto, H, Raven, E.L, Moody, P.C.E.
Deposit date:2021-01-13
Release date:2021-04-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:XFEL Crystal Structures of Peroxidase Compound II.
Angew.Chem.Int.Ed.Engl., 60, 2021
4A5L
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BU of 4a5l by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Podust, L.M.
Deposit date:2011-10-25
Release date:2012-10-31
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.66 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
4A65
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BU of 4a65 by Molmil
Crystal structure of the thioredoxin reductase from Entamoeba histolytica with AuCN
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GOLD ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Podust, L.M.
Deposit date:2011-10-31
Release date:2012-11-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 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
7ECD
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BU of 7ecd by Molmil
Crystal structure of Tam41 from Firmicutes bacterium, complex with CTP-Mg
Descriptor: BROMIDE ION, CYTIDINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Kimura, K, Kawai, F, Kubota-Kawai, H, Watanabe, Y, Tamura, Y.
Deposit date:2021-03-12
Release date:2022-01-19
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of Tam41 cytidine diphosphate diacylglycerol synthase from a Firmicutes bacterium.
J.Biochem., 171, 2022
6EG8
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BU of 6eg8 by Molmil
Structure of the GDP-bound Gs heterotrimer
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Hilger, D, Liu, X, Aschauer, P, Kobilka, B.K.
Deposit date:2018-08-19
Release date:2019-06-05
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Insights into the Process of GPCR-G Protein Complex Formation.
Cell, 177, 2019
3ABM
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BU of 3abm by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (200-s X-ray exposure dataset)
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:Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
Deposit date:2009-12-16
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009
3ABL
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BU of 3abl by Molmil
Bovine heart cytochrome c oxidase at the fully oxidized state (15-s X-ray exposure dataset)
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:Aoyama, H, Muramoto, K, Shinzawa-Itoh, K, Yamashita, E, Tsukihara, T, Ogura, T, Yoshikawa, S.
Deposit date:2009-12-16
Release date:2010-01-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A peroxide bridge between Fe and Cu ions in the O2 reduction site of fully oxidized cytochrome c oxidase could suppress the proton pump
Proc.Natl.Acad.Sci.USA, 106, 2009

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數據於2024-08-28公開中

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