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4EZ5
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BU of 4ez5 by Molmil
CDK6 (monomeric) in complex with inhibitor
分子名称: Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone
著者Chopra, R, Xu, M.
登録日2012-05-02
公開日2013-02-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
7ARO
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BU of 7aro by Molmil
Crystal structure of the non-ribose partial agonist LUF5833 bound to the adenosine A2A receptor
分子名称: 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ...
著者Verdon, G, Amelia, T, van Veldhoven, J, Falsini, M, Liu, R, Heitman, L, van Westen, G, Segala, E, Cheng, R, Cooke, R, van der Es, D, Ijzerman, A.
登録日2020-10-25
公開日2021-04-07
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.119 Å)
主引用文献Crystal Structure and Subsequent Ligand Design of a Nonriboside Partial Agonist Bound to the Adenosine A 2A Receptor.
J.Med.Chem., 64, 2021
6GPX
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BU of 6gpx by Molmil
CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812
分子名称: C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2, OLEIC ACID, ZINC ION, ...
著者Pautsch, A, Schnapp, G, Cheng, R, Apel, A.
登録日2018-06-07
公開日2019-01-02
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal Structure of CC Chemokine Receptor 2A in Complex with an Orthosteric Antagonist Provides Insights for the Design of Selective Antagonists.
Structure, 27, 2019
6TZN
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BU of 6tzn by Molmil
Structure of S. pombe telomerase accessory protein Pof8 C-terminal domain
分子名称: NITRATE ION, Protein pof8
著者Basu, R.S, Cascio, D, Eichhorn, C.D, Feigon, J.
登録日2019-08-12
公開日2020-08-19
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structure of S. pombe telomerase protein Pof8 C-terminal domain is an xRRM conserved among LARP7 proteins.
Rna Biol., 18, 2021
9CSI
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BU of 9csi by Molmil
A. baumannii MsbA Bound to Cerastecin Compound 5
分子名称: 3,3'-[(1,4-dioxobutane-1,4-diyl)bis(azanediyl)]bis[(4-butylbenzene-1-sulfonamido)benzoic acid], Lipid A export ATP-binding/permease protein MsbA, MAGNESIUM ION, ...
著者Klein, D.J, Ishchenko, A, Soisson, S, Cheng, R, Hennig, M.
登録日2024-07-23
公開日2024-09-04
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Cerastecin Inhibition of the Lipooligosaccharide Transporter MsbA to Combat Acinetobacter baumannii : From Screening Impurity to In Vivo Efficacy.
J.Med.Chem., 67, 2024
8HSB
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BU of 8hsb by Molmil
Cryo-EM Structure of CdnG-E2 complex from Serratia marcescens (UltrAuFoil)
分子名称: CdnG, Type VI secretion protein
著者Xiao, J, Wang, L.
登録日2022-12-18
公開日2024-05-01
最終更新日2025-06-25
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Phage defence system CBASS is regulated by a prokaryotic E2 enzyme that imitates the ubiquitin pathway.
Nat Microbiol, 9, 2024
4WXR
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BU of 4wxr by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A resolution
分子名称: NS3, {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid
著者Davies, D.R, Kim, H, Lorimer, D.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound inhibitor
TO BE PUBLISHED
4WXP
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BU of 4wxp by Molmil
X-ray crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor at 2.08 A resolution
分子名称: (1-methyl-1H-indol-3-yl)acetic acid, CHLORIDE ION, NS3-4 protease, ...
著者Davies, D.R.
登録日2014-11-14
公開日2015-12-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献crystal structure of NS3 Helicase from HCV with a bound fragment inhibitor
TO BE PUBLISHED
6O6M
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BU of 6o6m by Molmil
The Structure of EgtB (Cabther)
分子名称: EgtB (Cabther), FE (III) ION, GLYCEROL
著者Irani, S, Zhang, Y.
登録日2019-03-07
公開日2019-07-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Crystal Structure of the Ergothioneine Sulfoxide Synthase fromCandidatus Chloracidobacterium thermophilumand Structure-Guided Engineering To Modulate Its Substrate Selectivity.
Acs Catalysis, 9, 2019
5NM5
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BU of 5nm5 by Molmil
Tubulin Darpin room-temperature structure in complex with Colchicine determined by serial millisecond crystallography
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-05
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQT
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BU of 5nqt by Molmil
Tubulin Darpin room-temperature structure determined by serial millisecond crystallography
分子名称: DESIGNED ANKYRIN REPEAT PROTEIN (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5O5W
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BU of 5o5w by Molmil
Molybdenum storage protein room-temperature structure determined by serial millisecond crystallography
分子名称: (mu3-oxo)-tris(mu2-oxo)-nonakisoxo-trimolybdenum (VI), ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Steffen, B, Weinert, T, Ermler, U, Standfuss, J.
登録日2017-06-02
公開日2017-09-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NQU
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BU of 5nqu by Molmil
Tubulin Darpin cryo structure
分子名称: Designed Ankyrin Repeat Protein (DARPIN) D1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Weinert, T, Olieric, N, James, D, Gashi, D, Nogly, P, Jaeger, K, Steinmetz, M.O, Standfuss, J.
登録日2017-04-21
公開日2017-09-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
5NJM
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BU of 5njm by Molmil
Lysozyme room-temperature structure determined by serial millisecond crystallography
分子名称: Lysozyme C
著者Weinert, T, Vera, L, Marsh, M, James, D, Gashi, D, Nogly, P, Jaeger, K, Standfuss, J.
登録日2017-03-29
公開日2017-09-27
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Serial millisecond crystallography for routine room-temperature structure determination at synchrotrons.
Nat Commun, 8, 2017
8H0J
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BU of 8h0j by Molmil
Annexin A5 mutant
分子名称: Annexin A5, CALCIUM ION
著者Hua, Z.C, Tang, W.
登録日2022-09-29
公開日2023-10-04
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
8GYC
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BU of 8gyc by Molmil
Annexin A5 protein dimer mutant
分子名称: Annexin A5, CALCIUM ION
著者Hua, Z.C, Tang, W.
登録日2022-09-22
公開日2023-10-18
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
8H9Z
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BU of 8h9z by Molmil
Annexin A5 protein mutant
分子名称: Annexin A5, CALCIUM ION
著者Hua, Z.C, Tang, W.
登録日2022-10-26
公開日2023-11-01
最終更新日2025-05-28
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献A novel annexin dimer targets microglial phagocytosis of astrocytes to protect the brain-blood barrier after cerebral ischemia.
Acta Pharmacol.Sin., 46, 2025
6V51
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BU of 6v51 by Molmil
Spin-labeled T4 Lysozyme (9/131FnbY)-(4-Amino-TEMPO)
分子名称: 4-amino-2,2,6,6-tetramethylpiperidin-1-ol, Endolysin
著者Liu, J, Morizumi, T, Ou, W.L, Wang, L, Ernst, O.P.
登録日2019-12-02
公開日2020-10-07
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Genetically Encoded Quinone Methides Enabling Rapid, Site-Specific, and Photocontrolled Protein Modification with Amine Reagents.
J.Am.Chem.Soc., 142, 2020
8RWE
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BU of 8rwe by Molmil
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch4
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 1,3-diethyl-8-[(~{E})-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Glover, H.
登録日2024-02-03
公開日2025-01-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RWI
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BU of 8rwi by Molmil
Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch2' determined by serial synchrotron crystallography
分子名称: 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
著者Glover, H, Weinert, T.
登録日2024-02-05
公開日2025-01-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RW4
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BU of 8rw4 by Molmil
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'AzoSwitch2
分子名称: 8-[(~{E})-(3,4-dimethoxyphenyl)diazenyl]-1,3-diethyl-7~{H}-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
著者Glover, H.
登録日2024-02-02
公開日2025-01-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RWC
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BU of 8rwc by Molmil
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch2
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 8-[(~{E})-2-[3,4-bis(oxidanyl)phenyl]ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, ...
著者Glover, H.
登録日2024-02-02
公開日2025-01-08
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RWD
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BU of 8rwd by Molmil
Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch3
分子名称: 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
著者Glover, H.
登録日2024-02-03
公開日2025-01-08
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RWX
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BU of 8rwx by Molmil
Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography
分子名称: 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, ...
著者Glover, H, Bertrand, Q, Weinert, T.
登録日2024-02-05
公開日2025-01-08
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024
8RW0
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BU of 8rw0 by Molmil
Crystal structure of the adenosine A2A receptor in complex with Istradefylline
分子名称: 8-[(~{E})-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ...
著者Glover, H.
登録日2024-02-02
公開日2025-01-08
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography.
Nat Commun, 15, 2024

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