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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
2NSE
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BU of 2nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE SUBSTRATE COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1998-08-13
公開日1999-05-25
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
1D1W
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BU of 1d1w by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 2-AMINOTHIAZOLINE (H4B BOUND)
分子名称: 2-AMINOTHIAZOLINE, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
著者Li, H, Raman, C.S, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1999-09-21
公開日2000-10-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 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
2NSI
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BU of 2nsi by Molmil
HUMAN INDUCIBLE NITRIC OXIDE SYNTHASE, ZN-FREE, SEITU COMPLEX
分子名称: 5,6,7,8-TETRAHYDROBIOPTERIN, ETHYLISOTHIOUREA, PROTEIN (NITRIC OXIDE SYNTHASE), ...
著者Li, H, Raman, C.S, Glaser, C.B, Blasko, E, Young, T.A, Parkinson, J.F, Whitlow, M, Poulos, T.L.
登録日1999-01-11
公開日2000-01-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structures of zinc-free and -bound heme domain of human inducible nitric-oxide synthase. Implications for dimer stability and comparison with endothelial nitric-oxide synthase.
J.Biol.Chem., 274, 1999
2OVM
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BU of 2ovm by Molmil
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor NCoR
分子名称: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, NCoR, Progesterone receptor
著者Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
登録日2007-02-14
公開日2007-03-20
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
2OVH
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BU of 2ovh by Molmil
Progesterone Receptor with Bound Asoprisnil and a Peptide from the Co-Repressor SMRT
分子名称: 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME, Progesterone receptor, SMRT peptide
著者Madauss, K.P, Deng, S.-J, Short, S.A, Stewart, E.L, Williams, S.P.
登録日2007-02-13
公開日2007-03-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A structural and in vitro characterization of asoprisnil: a selective progesterone receptor modulator.
Mol.Endocrinol., 21, 2007
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
7W2Z
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BU of 7w2z by Molmil
Cryo-EM structure of the ghrelin-bound human ghrelin receptor-Go complex
分子名称: Appetite-regulating hormone, CHOLESTEROL, Growth hormone secretagogue receptor type 1, ...
著者Qin, J, Ming, Q, Ji, S, Mao, C, Shen, D, Zhang, Y.
登録日2021-11-24
公開日2022-01-19
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Molecular mechanism of agonism and inverse agonism in ghrelin receptor.
Nat Commun, 13, 2022
7WV9
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BU of 7wv9 by Molmil
Allosteric modulator ZCZ011 binding to CP55940-bound cannabinoid receptor 1 in complex with Gi protein
分子名称: 2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol, 6-methyl-3-[(1S)-2-nitro-1-thiophen-2-yl-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, ...
著者Xu, Z, Shao, Z.
登録日2022-02-10
公開日2022-06-15
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.36 Å)
主引用文献Molecular mechanism of allosteric modulation for the cannabinoid receptor CB1.
Nat.Chem.Biol., 18, 2022
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
分子名称: 3C-like proteinase
著者Liu, X, Zhao, Y, Yang, H, Rao, Z.
登録日2021-08-29
公開日2022-04-06
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.491 Å)
主引用文献Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
2ISW
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BU of 2isw by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
著者Galkin, A, Herzberg, O.
登録日2006-10-18
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Characterization, kinetics, and crystal structures of fructose-1,6-bisphosphate aldolase from the human parasite, Giardia lamblia.
J.Biol.Chem., 282, 2007
2ISV
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BU of 2isv by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate
分子名称: PHOSPHOGLYCOLOHYDROXAMIC ACID, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
著者Galkin, A, Herzberg, O.
登録日2006-10-18
公開日2006-12-12
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Characterization, kinetics, and crystal structures of fructose-1,6-bisphosphate aldolase from the human parasite, Giardia lamblia.
J.Biol.Chem., 282, 2007
7VT0
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BU of 7vt0 by Molmil
Dimer structure of SORLA
分子名称: Sortilin-related receptor
著者Xi, Z, Cang, W, Chuang, L.
登録日2021-10-27
公開日2022-11-02
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Cryo-EM structures reveal distinct apo conformations of sortilin-related receptor SORLA.
Biochem.Biophys.Res.Commun., 600, 2022
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
7YAC
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BU of 7yac by Molmil
Paltusotine-bound SSTR2-Gi complex
分子名称: 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, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
著者Zhao, J, Shao, Z.
登録日2022-06-27
公開日2023-04-19
最終更新日2023-09-27
実験手法ELECTRON MICROSCOPY (3.24 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
7YAE
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BU of 7yae by Molmil
Octreotide-bound SSTR2-Gi complex
分子名称: CHOLESTEROL, DPN-CYS-PHE-DTR-LYS-THR-CYS-THO, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, J, Shao, Z.
登録日2022-06-28
公開日2023-04-19
実験手法ELECTRON MICROSCOPY (3.37 Å)
主引用文献Prospect of acromegaly therapy: molecular mechanism of clinical drugs octreotide and paltusotine.
Nat Commun, 14, 2023
2LKO
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BU of 2lko by Molmil
Structural Basis of Phosphoinositide Binding to Kindlin-2 Pleckstrin Homology Domain in Regulating Integrin Activation
分子名称: Fermitin family homolog 2, INOSITOL-(1,3,4,5)-TETRAKISPHOSPHATE
著者Liu, J, Fukuda, K, Xu, Z.
登録日2011-10-17
公開日2011-10-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural basis of phosphoinositide binding to kindlin-2 protein pleckstrin homology domain in regulating integrin activation.
J.Biol.Chem., 286, 2011
4NSE
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BU of 4nse by Molmil
BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, L-ARG COMPLEX
分子名称: ACETATE ION, ARGININE, CACODYLATE ION, ...
著者Raman, C.S, Li, H, Martasek, P, Kral, V, Masters, B.S.S, Poulos, T.L.
登録日1998-10-07
公開日1999-05-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Crystal structure of constitutive endothelial nitric oxide synthase: a paradigm for pterin function involving a novel metal center.
Cell(Cambridge,Mass.), 95, 1998
5V8C
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BU of 5v8c by Molmil
LytR-Csp2A-Psr enzyme from Actinomyces oris
分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, COBALT (II) ION, PHOSPHATE ION, ...
著者Amer, B.R, Sawaya, M.R, Liauw, B, Fu, J.Y, Ton-That, H, Clubb, R.T.
登録日2017-03-21
公開日2018-04-11
最終更新日2020-01-08
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Structure and Mechanism of LcpA, a Phosphotransferase That Mediates Glycosylation of a Gram-Positive Bacterial Cell Wall-Anchored Protein.
MBio, 10, 2019
5VAO
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BU of 5vao by Molmil
Crystal structure of eVP30 C-terminus and eNP peptide
分子名称: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者XU, W, Leung, D.W, Amarasinghe, G.K.
登録日2017-03-27
公開日2017-06-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Ebola virus VP30 and nucleoprotein interactions modulate viral RNA synthesis.
Nat Commun, 8, 2017
5XHS
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BU of 5xhs by Molmil
Crystal structure of SIRT5 complexed with a fluorogenic small-molecule substrate SuBKA
分子名称: (2S)-2-azanyl-6-[(4-hydroxy-4-oxo-butanoyl)amino]hexanoic acid, 7-AMINO-4-METHYL-CHROMEN-2-ONE, NAD-dependent protein deacylase sirtuin-5, ...
著者Yu, Y, Li, B, Chen, Q.
登録日2017-04-24
公開日2018-05-02
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Interactions between sirtuins and fluorogenic small-molecule substrates offer insights into inhibitor design
Rsc Adv, 7, 2017
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
6IIL
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BU of 6iil by Molmil
USP14 catalytic domain bind to IU1-47
分子名称: 1-[1-(4-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(piperidin-1-yl)ethan-1-one, Ubiquitin carboxyl-terminal hydrolase 14
著者Mei, Z.Q, Wang, Y.W, Wang, F, Wang, J.W, He, W, Ding, S, Li, J.W.
登録日2018-10-07
公開日2018-12-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Small molecule inhibitors reveal allosteric regulation of USP14 via steric blockade.
Cell Res., 28, 2018
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
7EW7
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BU of 7ew7 by Molmil
Cryo-EM structure of SEW2871-bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
分子名称: 5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole, 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, ...
著者Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
登録日2021-05-24
公開日2021-09-29
最終更新日2022-02-16
実験手法ELECTRON MICROSCOPY (3.27 Å)
主引用文献Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021

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