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7XAR
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BU of 7xar by Molmil
Crystal structure of 3C-like protease from SARS-CoV-2 in complex with covalent inhibitor
分子名称: 3C-like proteinase, 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide, CHLORIDE ION, ...
著者Caaveiro, J.M.M, Ochi, J, Takahashi, D, Ueda, T, Ojida, A.
登録日2022-03-18
公開日2022-11-09
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of Chlorofluoroacetamide-Based Covalent Inhibitors for Severe Acute Respiratory Syndrome Coronavirus 2 3CL Protease.
J.Med.Chem., 65, 2022
3V5O
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BU of 3v5o by Molmil
Structural and Mechanistic Studies of Catalysis and Sulfa Drug Resistance in Dihydropteroate Synthase
分子名称: Dihydropteroate synthase, SULFATE ION
著者Yun, M, Wu, Y, Li, Z, Zhao, Y, Waddell, M.B, Ferreira, A.M, Lee, R.E, Bashford, D, White, S.W.
登録日2011-12-16
公開日2012-03-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalysis and sulfa drug resistance in dihydropteroate synthase.
Science, 335, 2012
8OQH
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BU of 8oqh by Molmil
Structure of the cytosolic domain of lysosome-associated TMEM55B
分子名称: Type 1 phosphatidylinositol 4,5-bisphosphate 4-phosphatase, ZINC ION
著者Waschbusch, D, Khan, A.R.
登録日2023-04-12
公開日2023-11-29
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structure of the cytosolic domain of lysosome-associated TMEM55B
To be published
5WID
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BU of 5wid by Molmil
Structure of a flavodoxin from the domain Archaea
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, FLAVIN MONONUCLEOTIDE, ...
著者Murakami, K.S, Ferry, J.G.
登録日2017-07-19
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.681 Å)
主引用文献Structure and function of an unusual flavodoxin from the domainArchaea.
Proc.Natl.Acad.Sci.USA, 116, 2019
1RLA
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BU of 1rla by Molmil
THREE-DIMENSIONAL STRUCTURE OF RAT LIVER ARGINASE, THE BINUCLEAR MANGANESE METALLOENZYME OF THE UREA CYCLE
分子名称: ARGINASE, MANGANESE (II) ION
著者Kanyo, Z, Scolnick, L, Ash, D, Christianson, D.W.
登録日1996-08-15
公開日1997-10-15
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of a unique binuclear manganese cluster in arginase.
Nature, 383, 1996
8DS5
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BU of 8ds5 by Molmil
X-ray structure of the MK5890 Fab - CD27 antibody-antigen complex
分子名称: CADMIUM ION, CD27 antigen, MK-5890 Fab heavy chain, ...
著者Fischmann, T.O.
登録日2022-07-21
公開日2022-09-28
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.926 Å)
主引用文献Preclinical characterization and clinical translation of pharmacodynamic markers for MK-5890: a human CD27 activating antibody for cancer immunotherapy.
J Immunother Cancer, 10, 2022
7YYW
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BU of 7yyw by Molmil
Molecular snapshots of drug release from tubulin: 10 nanoseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ5
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BU of 7yz5 by Molmil
Molecular snapshots of drug release from tubulin: 100 milliseconds (steady state)
分子名称: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ2
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BU of 7yz2 by Molmil
Molecular snapshots of drug release from tubulin: 10 milliseconds after photoactivation.
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYV
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BU of 7yyv by Molmil
Molecular snapshots of drug release from tubulin: 1 nanosecond after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYZ
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BU of 7yyz by Molmil
Molecular snapshots of drug release from tubulin: 10 microseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ1
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BU of 7yz1 by Molmil
Molecular snapshots of drug release from tubulin: 1 millisecond after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ6
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BU of 7yz6 by Molmil
Molecular snapshots of drug release from tubulin: Dark (steady state)
分子名称: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYX
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BU of 7yyx by Molmil
Molecular snapshots of drug release from tubulin: 100 nanoseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ0
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BU of 7yz0 by Molmil
Molecular snapshots of drug release from tubulin: 100 microseconds after photoactivation.
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YZ3
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BU of 7yz3 by Molmil
Molecular snapshots of drug release from tubulin: Apo state
分子名称: CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYY
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BU of 7yyy by Molmil
Molecular snapshots of drug release from tubulin: 1 microsecond after photoactivation
分子名称: Azo-Combretastatin A4 (trans), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
7YYQ
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BU of 7yyq by Molmil
Molecular snapshots of drug release from tubulin: Dark state
分子名称: Azo-Combretastatin A4 (cis), CALCIUM ION, Designed Ankyrin Repeat Protein (DARPIN) D1, ...
著者Wranik, M, Weinert, T, Standfuss, J.
登録日2022-02-18
公開日2023-02-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Watching the release of a photopharmacological drug from tubulin using time-resolved serial crystallography.
Nat Commun, 14, 2023
8EFN
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BU of 8efn by Molmil
Structure of Sp-STING3 from Stylophora pistillata coral in complex with 3',3'-cGAMP
分子名称: 1,2-ETHANEDIOL, 2-amino-9-[(2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, Stimulator of interferon genes protein
著者Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
登録日2022-09-08
公開日2023-07-05
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
8EFM
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BU of 8efm by Molmil
Structure of coral STING receptor from Stylophora pistillata in complex with 2',3'-cGAMP
分子名称: SULFATE ION, Stimulator of interferon genes protein, cGAMP
著者Li, Y, Slavik, K.M, Morehouse, B.R, Mears, K, Kranzusch, P.J.
登録日2022-09-08
公開日2023-07-05
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献cGLRs are a diverse family of pattern recognition receptors in innate immunity.
Cell, 186, 2023
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
著者Fenalti, G.
登録日2018-11-26
公開日2019-05-15
最終更新日2019-05-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019
8EKD
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BU of 8ekd by Molmil
Cryo-EM map of SARS-CoV-2 Omicron BA.2 spike in complex with 2130-1-0114-112
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab LLNL-199 HC, Fab LLNL-199 LC, ...
著者Binshtein, E, Crowe, J.E.
登録日2022-09-20
公開日2024-02-21
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Computationally restoring the potency of a clinical antibody against Omicron.
Nature, 629, 2024
8CL7
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BU of 8cl7 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) in dark state
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Bertrand, Q, Wranik, M, Kepa, M.W, Weinert, T, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CLE
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BU of 8cle by Molmil
Vinblastine bound to tubulin (T2R-TTL) complex
分子名称: (2ALPHA,2'BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ...
著者Wranik, M, Bertrand, Q, Kepa, M.W, Weinert, T, Steinmetz, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023
8CL8
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BU of 8cl8 by Molmil
Krokinobacter eikastus rhodopsin 2 (KR2) extrapolated map 1us after light activation
分子名称: EICOSANE, RETINAL, Sodium pumping rhodopsin
著者Bertrand, Q, Kepa, M.W, Weinert, T, Wranik, M, Standfuss, J.
登録日2023-02-16
公開日2023-12-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A multi-reservoir extruder for time-resolved serial protein crystallography and compound screening at X-ray free-electron lasers.
Nat Commun, 14, 2023

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