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8BA0
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BU of 8ba0 by Molmil
Drosophila melanogaster complex I in the Twisted state (Dm2)
分子名称: 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Acyl carrier protein, ...
著者Agip, A.N.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J.
登録日2022-10-10
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
8B9Z
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BU of 8b9z by Molmil
Drosophila melanogaster complex I in the Active state (Dm1)
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
著者Agip, A.A, Chung, I, Sanchez-Martinez, A, Whitworth, A.J, Hirst, J.
登録日2022-10-10
公開日2023-01-18
実験手法ELECTRON MICROSCOPY (3.28 Å)
主引用文献Cryo-EM structures of mitochondrial respiratory complex I from Drosophila melanogaster.
Elife, 12, 2023
4BPT
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BU of 4bpt by Molmil
Structural and thermodynamic insight into phenylalanine hydroxylase from the human pathogen Legionella pneumophila
分子名称: DI(HYDROXYETHYL)ETHER, PHENYLALANINE-4-HYDROXYLASE (PAH) (PHE-4-MONOOXYGENASE)
著者Leiros, H.-K.S, Flydal, M.I, Martinez, A.
登録日2013-05-28
公開日2013-08-21
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Thermodynamic Insight Into Phenylalanine Hydroxylase from the Human Pathogen Legionella Pneumophila.
FEBS Open Bio, 3, 2013
6ZM0
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BU of 6zm0 by Molmil
Crystal structure of MreC from Pseudomonas aeruginosa
分子名称: CHLORIDE ION, Cell shape-determining protein MreC, MAGNESIUM ION
著者Contreras-Martel, C, Dessen, A, Trindade, D.M.
登録日2020-07-01
公開日2021-03-17
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.471 Å)
主引用文献Self-association of MreC as a regulatory signal in bacterial cell wall elongation.
Nat Commun, 12, 2021
6ZLV
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BU of 6zlv by Molmil
MreC
分子名称: Rod shape-determining protein MreC
著者Estrozi, L.F, Contreras-Martel, C.
登録日2020-07-01
公開日2021-03-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Self-association of MreC as a regulatory signal in bacterial cell wall elongation.
Nat Commun, 12, 2021
4DVH
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BU of 4dvh by Molmil
Crystal structure of Trypanosoma cruzi mitochondrial iron superoxide dismutase
分子名称: FE (III) ION, Superoxide dismutase
著者Larrieux, N, Buschiazzo, A.
登録日2012-02-23
公開日2013-03-27
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Structural and Molecular Basis of the Peroxynitrite-mediated Nitration and Inactivation of Trypanosoma cruzi Iron-Superoxide Dismutases (Fe-SODs) A and B: DISPARATE SUSCEPTIBILITIES DUE TO THE REPAIR OF TYR35 RADICAL BY CYS83 IN Fe-SODB THROUGH INTRAMOLECULAR ELECTRON TRANSFER.
J.Biol.Chem., 289, 2014
2L7S
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BU of 2l7s by Molmil
Determination of the three-dimensional structure of adrenomedullin, a first step towards the analysis of its interactions with receptors and small molecules
分子名称: Adrenomedullin
著者Jimenez-Barbero, J, Perez-Castells, J, Nieto, L.
登録日2010-12-21
公開日2011-09-28
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure of micelle-bound adrenomedullin: a first step toward the analysis of its interactions with receptors and small molecules.
Biopolymers, 97, 2012
6QI4
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BU of 6qi4 by Molmil
NCS-1 bound to a ligand
分子名称: 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ...
著者Sanchez-Barrena, M.J, Blanco-Gabella, P.
登録日2019-01-17
公開日2019-07-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
5VXV
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BU of 5vxv by Molmil
Peroxisomal membrane protein PEX15
分子名称: Peroxisomal membrane protein PEX15
著者Gardner, B.M, Castanzo, D.T.
登録日2017-05-24
公開日2018-01-17
最終更新日2019-11-27
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献The peroxisomal AAA-ATPase Pex1/Pex6 unfolds substrates by processive threading.
Nat Commun, 9, 2018
6DUQ
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BU of 6duq by Molmil
Structure of a Rho-NusG KOW domain complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, ...
著者Berger, J.M, Lawson, M.R.
登録日2018-06-21
公開日2018-09-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Mechanism for the Regulated Control of Bacterial Transcription Termination by a Universal Adaptor Protein.
Mol. Cell, 71, 2018
8AXH
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BU of 8axh by Molmil
Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ...
著者Bermejo, I, Corzana, F, Hurtado-Guerrero, R.
登録日2022-08-31
公開日2023-08-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.
Jacs Au, 4, 2024
8VW5
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BU of 8vw5 by Molmil
Crystal structure of Cbl-b TKB bound to compound 2
分子名称: CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ...
著者Yu, C, Murray, J, Hsu, P.L.
登録日2024-01-31
公開日2024-07-03
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
8VW4
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BU of 8vw4 by Molmil
Crystal structure of Cbl-b TKB bound to compound 26
分子名称: (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ...
著者Yu, C, Murray, J, Hsu, P.L.
登録日2024-01-31
公開日2024-07-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding.
Acs Med.Chem.Lett., 15, 2024
6NZV
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BU of 6nzv by Molmil
Crystal structure of HCV NS3/4A protease in complex with compound 12
分子名称: (1aR,5S,8S,9S,10R,22aR)-5-tert-butyl-N-[(1R,2R)-2-(difluoromethyl)-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-9-ethyl-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa[18,19][1,10,3,6]dioxadiazacyclononadecino[11,12-b]quinoxaline-8-carboxamide, HCV NS3/4A protease, SULFATE ION, ...
著者Appleby, T.C, Taylor, J.G.
登録日2019-02-14
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of the pan-genotypic hepatitis C virus NS3/4A protease inhibitor voxilaprevir (GS-9857): A component of Vosevi®.
Bioorg.Med.Chem.Lett., 29, 2019
1AZ3
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BU of 1az3 by Molmil
ECORV ENDONUCLEASE, UNLIGANDED, FORM B
分子名称: ECORV ENDONUCLEASE
著者Perona, J, Martin, A.
登録日1997-11-24
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational transitions and structural deformability of EcoRV endonuclease revealed by crystallographic analysis.
J.Mol.Biol., 273, 1997
1AZ4
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BU of 1az4 by Molmil
ECORV ENDONUCLEASE, UNLIGANDED, FORM B, T93A MUTANT
分子名称: ECORV ENDONUCLEASE
著者Perona, J, Martin, A.
登録日1997-11-24
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Conformational transitions and structural deformability of EcoRV endonuclease revealed by crystallographic analysis.
J.Mol.Biol., 273, 1997
7QHW
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BU of 7qhw by Molmil
TTBK1 kinase domain in complex with inhibitor 29
分子名称: GLYCEROL, SULFATE ION, Tau-tubulin kinase 1, ...
著者Nozal, V, Liehta, D.
登録日2021-12-14
公開日2022-10-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献TDP-43 Modulation by Tau-Tubulin Kinase 1 Inhibitors: A New Avenue for Future Amyotrophic Lateral Sclerosis Therapy.
J.Med.Chem., 65, 2022
5CPR
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BU of 5cpr by Molmil
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
分子名称: 6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine, Histone-lysine N-methyltransferase SUV420H1, S-ADENOSYLMETHIONINE, ...
著者Jakob, C.G, Upadhyay, A.K, Sun, C.
登録日2015-07-21
公開日2017-01-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.22 Å)
主引用文献The SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity.
Nat. Chem. Biol., 13, 2017
6SRJ
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BU of 6srj by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: single pulse reference data
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SRQ
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BU of 6srq by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 18 fs time delay
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SR1
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BU of 6sr1 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 35 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SRK
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BU of 6srk by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 35 fs time delay
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SR3
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BU of 6sr3 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: 62 fs time delay
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SR0
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BU of 6sr0 by Molmil
X-ray pump X-ray probe on lysozyme.Gd nanocrystals: single colour reference data
分子名称: 10-((2R)-2-HYDROXYPROPYL)-1,4,7,10-TETRAAZACYCLODODECANE 1,4,7-TRIACETIC ACID, CHLORIDE ION, GADOLINIUM ATOM, ...
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-04
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020
6SRO
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BU of 6sro by Molmil
X-ray pump X-ray probe on thaumatin nanocrystals: 76 fs time delay
分子名称: L(+)-TARTARIC ACID, Thaumatin-1
著者Kloos, M, Gorel, A, Nass, K.
登録日2019-09-05
公開日2020-04-22
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural dynamics in proteins induced by and probed with X-ray free-electron laser pulses.
Nat Commun, 11, 2020

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