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2K9U
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BU of 2k9u by Molmil
Solution NMR structure of the Filamin-migfilin complex
分子名称: Filamin-binding LIM protein 1, Gamma filamin
著者Ithychanda, S.N, Qin, J.
登録日2008-10-24
公開日2008-12-23
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Migfilin, a molecular switch in regulation of integrin activation.
J.Biol.Chem., 284, 2009
7BR3
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BU of 7br3 by Molmil
Crystal structure of the protein 1
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2,3-dihydroxypropyl dodecanoate, 4-[[(1R)-2-[5-(2-fluoranyl-3-methoxy-phenyl)-3-[[2-fluoranyl-6-(trifluoromethyl)phenyl]methyl]-4-methyl-2,6-bis(oxidanylidene)pyrimidin-1-yl]-1-phenyl-ethyl]amino]butanoic acid, ...
著者Cheng, L, Shao, Z.
登録日2020-03-26
公開日2020-10-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structure of the human gonadotropin-releasing hormone receptor GnRH1R reveals an unusual ligand binding mode.
Nat Commun, 11, 2020
7C9N
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Crystal structure of SETDB1 tudor domain in complexed with Compound 1.
分子名称: 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y, Xiong, L, Mao, X, Yang, S.
登録日2020-06-06
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.472 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
7CAJ
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BU of 7caj by Molmil
Crystal structure of SETDB1 Tudor domain in complexed with Compound 2.
分子名称: 3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1
著者Guo, Y.P, Liang, X, Xin, M, Luyi, H, Chengyong, W, Yang, S.Y.
登録日2020-06-08
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.198 Å)
主引用文献Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain.
Angew.Chem.Int.Ed.Engl., 60, 2021
7E3O
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BU of 7e3o by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody nCoV617
分子名称: Spike protein S1, nCoV617 Heigh Chain, nCoV617 Light Chain
著者Chen, S.D, Yang, M.
登録日2021-02-09
公開日2021-09-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structural Basis of a Human Neutralizing Antibody Specific to the SARS-CoV-2 Spike Protein Receptor-Binding Domain.
Microbiol Spectr, 9, 2021
7EI1
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BU of 7ei1 by Molmil
Structure of Pyrococcus furiosus Cas1Cas2 complex
分子名称: CRISPR-associated endonuclease Cas1, CRISPR-associated endoribonuclease Cas2
著者Yu, Y, Chen, Q.
登録日2021-03-30
公開日2021-11-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献A distinct structure of Cas1-Cas2 complex provides insights into the mechanism for the longer spacer acquisition in Pyrococcus furiosus.
Int.J.Biol.Macromol., 183, 2021
4LC7
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BU of 4lc7 by Molmil
Aminooxazoline inhibitor of BACE-1
分子名称: (3aR,7aR)-3a-[3-(5-chloropyridin-3-yl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-amine, Beta-Secretase-1, NICKEL (II) ION
著者Huestis, M.P, Liu, W, Volgraf, M, Purkey, H.E, Wu, C, Wang, W, Smith, D, Vigers, G.P.A, Dutcher, D, Hunt, K.W, Siu, M.
登録日2013-06-21
公開日2013-09-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Diethylaminosulfur Trifluoride-Mediated Intramolecular Cyclization of 2-hydroxycycloalkylureas to Fused Bicyclic Aminooxazoline Compounds and Evaluation of Their Biochemical Activity Against β-Secretase-1 (BACE-1)
Tetrahedron Lett., 2013
7E0B
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BU of 7e0b by Molmil
The crystal structure of sorting nexin 27 and PBM complex
分子名称: PBM, Sorting nexin-27
著者Shang, G.J, Qi, J.X.
登録日2021-01-27
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献SNX27 suppresses SARS-CoV-2 infection by inhibiting viral lysosome/late endosome entry.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XGY
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BU of 7xgy by Molmil
cryo-EM structure of hemoglobin
分子名称: Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE
著者Liu, N, Wang, H.W.
登録日2022-04-07
公開日2022-11-09
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Uniform thin ice on ultraflat graphene for high-resolution cryo-EM.
Nat.Methods, 20, 2023
7Y42
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Cryo-EM structure of the SARS-CoV-2 spike glycoprotein in complex with all-trans retinoic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, RETINOIC ACID, Spike glycoprotein
著者Xiang, Y, Wang, L.
登録日2022-06-13
公開日2022-07-06
最終更新日2022-09-14
実験手法ELECTRON MICROSCOPY (3.45 Å)
主引用文献A Retinol Derivative Inhibits SARS-CoV-2 Infection by Interrupting Spike-Mediated Cellular Entry.
Mbio, 13, 2022
1FOO
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BU of 1foo by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1FOI
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1400W(H4B-FREE)
分子名称: ACETATE ION, CACODYLATE ION, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1FOP
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG AND NO(H4B-BOUND)
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ARGININE, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1FOJ
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 7-NITROINDAZOLE-2-CARBOXAMIDINE (H4B PRESENT)
分子名称: 7-NITROINDAZOLE, 7-NITROINDAZOLE-2-CARBOXAMIDINE, ACETATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism
Biochemistry, 40, 2001
1ED6
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BU of 1ed6 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-NIO (H4B FREE)
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
登録日2000-01-26
公開日2001-01-31
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Biochemistry, 40, 2001
1FOL
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BU of 1fol by Molmil
REDUCED BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH L-ARG(H4B-FREE)
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Masters, B.S, Poulos, T.L.
登録日2000-08-28
公開日2001-07-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors
Biochemistry, 40, 2001
1I83
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BU of 1i83 by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE (H4B FREE)
分子名称: ACETATE ION, GLYCEROL, N1,N14-BIS((S-METHYL)ISOTHIOUREIDO)TETRADECANE, ...
著者Raman, C.S, Li, H, Martasek, P, Babu, B.R, Griffith, O.W, Masters, B.S.S, Poulos, T.L.
登録日2001-03-12
公開日2001-08-08
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
J.Biol.Chem., 276, 2001
1ED4
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH IPITU (H4B FREE)
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日2000-01-26
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Mapping the active site polarity in structures of endothelial nitric oxide synthase heme domain complexed with isothioureas.
J.Inorg.Biochem., 81, 2000
1ED5
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BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH NNA(H4B FREE)
分子名称: ACETATE ION, CACODYLIC ACID, GLYCEROL, ...
著者Raman, C.S, Li, H, Martasek, P, Southan, G.J, Masters, B.S.S, Poulos, T.L.
登録日2000-01-26
公開日2001-01-31
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Biochemistry, 40, 2001
1M8I
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inducible nitric oxide synthase with 5-nitroindazole bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 5-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-24
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M8H
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inducible nitric oxide synthase with 6-nitroindazole bound
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-24
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M9K
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Human Endothelial Nitric Oxide Synthase with 7-Nitroindazole Bound
分子名称: 7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M9R
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human endothelial nitric oxide synthase with 3-Bromo-7-Nitroindazole bound
分子名称: 3-BROMO-7-NITROINDAZOLE, PROTOPORPHYRIN IX CONTAINING FE, ZINC ION, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M9Q
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human endothelial nitric oxide synthase with 5-nitroindazole bound
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-NITROINDAZOLE, ISOPROPYL ALCOHOL, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-29
公開日2002-08-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002
1M8D
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inducible nitric oxide synthase with Chlorzoxazone bound
分子名称: 1,2-ETHANEDIOL, 5,6,7,8-TETRAHYDROBIOPTERIN, CHLORZOXAZONE, ...
著者Rosenfeld, R.J, Garcin, E.D, Panda, K, Andersson, G, Aberg, A, Wallace, A.V, Stuehr, D.J, Tainer, J.A, Getzoff, E.D.
登録日2002-07-24
公開日2002-08-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Conformational Changes in Nitric Oxide Synthases Induced by Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency
Biochemistry, 41, 2002

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