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PDB: 763 件

3VSH
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Crystal structure of native 1,6-APD (with Iron), 2-Animophenol-1,6-Dioxygenase
分子名称: 2-amino-5-chlorophenol 1,6-dioxygenase alpha subunit, 2-amino-5-chlorophenol 1,6-dioxygenase beta subunit, FE (II) ION
著者Li, D.F, Hou, Y.J, Hu, Y, Wang, D.C, Liu, W.
登録日2012-04-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of aminophenol dioxygenase in complex with intermediate, product and inhibitor
Acta Crystallogr.,Sect.D, 69, 2013
5AY7
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A psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase
分子名称: xylanase
著者Zheng, Y, Li, Y, Liu, W, Guo, R.T.
登録日2015-08-10
公開日2016-02-24
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structural insight into potential cold adaptation mechanism through a psychrophilic glycoside hydrolase family 10 endo-beta-1,4-xylanase.
J.Struct.Biol., 193, 2016
5TUD
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Structural Insights into the Extracellular Recognition of the Human Serotonin 2B Receptor by an Antibody
分子名称: 5-hydroxytryptamine receptor 2B,Soluble cytochrome b562 chimera, Anti-5-HT2B Fab heavy chain, Anti-5-HT2B Fab light chain, ...
著者Ishchenko, A, Wacker, D, Kapoor, M, Zhang, A, Han, G.W, Basu, S, Boutet, S, James, D, Wang, D, Weierstall, U, Liu, W, Katritch, V, Stevens, R.C, Cherezov, V.
登録日2016-11-05
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structural insights into the extracellular recognition of the human serotonin 2B receptor by an antibody.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UNH
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Synchrotron structure of human angiotensin II type 2 receptor in complex with compound 2 (N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'- biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide)
分子名称: N-[(furan-2-yl)methyl]-N-(4-oxo-2-propyl-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)benzamide, Soluble cytochrome b562,Type-2 angiotensin II receptor
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5UNG
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XFEL structure of human angiotensin II type 2 receptor (Orthorhombic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl] methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide)
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide, ...
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
5UNF
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XFEL structure of human angiotensin II type 2 receptor (Monoclinic form) in complex with compound 1 (N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl])
分子名称: Chimera protein of Type-2 angiotensin II receptor and Soluble cytochrome b562, N-benzyl-N-(2-ethyl-4-oxo-3-{[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-3,4-dihydroquinazolin-6-yl)thiophene-2-carboxamide
著者Zhang, H, Han, G.W, Batyuk, A, Ishchenko, A, White, K.L, Patel, N, Sadybekov, A, Zamlynny, B, Rudd, M.T, Hollenstein, K, Tolstikova, A, White, T.A, Hunter, M.S, Weierstall, U, Liu, W, Babaoglu, K, Moore, E.L, Katz, R.D, Shipman, J.M, Garcia-Calvo, M, Sharma, S, Sheth, P, Soisson, S.M, Stevens, R.C, Katritch, V, Cherezov, V.
登録日2017-01-30
公開日2017-04-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for selectivity and diversity in angiotensin II receptors.
Nature, 544, 2017
6AGS
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Structural insights for non-natural cofactor binding by the L310R/Q401C mutant of malic enzyme from Escherichia coli
分子名称: NAD-dependent malic enzyme
著者Liu, Y.X, Liu, W.J, Ji, D.B, Zhao, K.
登録日2018-08-13
公開日2019-08-14
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Structural Insights into Malic Enzyme Variants Favoring an Unnatural Redox Cofactor.
Chembiochem, 22, 2021
2HZ8
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QM/MM structure refined from NMR-structure of a single chain diiron protein
分子名称: De novo designed diiron protein, ZINC ION
著者Calhoun, J.R, Liu, W, Spiegel, K, Dal Peraro, M, Klein, M.L, Wand, A.J, DeGrado, W.F.
登録日2006-08-08
公開日2007-07-17
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution NMR structure of a designed metalloprotein and complementary molecular dynamics refinement.
Structure, 16, 2008
8F7S
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Gi bound delta-opioid receptor in complex with deltorphin
分子名称: CHOLESTEROL, Delta-type opioid receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E.
登録日2022-11-20
公開日2022-12-14
最終更新日2023-02-01
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structures of the entire human opioid receptor family.
Cell, 186, 2023
5Z97
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Crystal structure of a lactonase double mutant in complex with ligand N
分子名称: (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Lactonase for protein, SULFATE ION
著者Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-02-02
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
5Z5J
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Crystal structure of a lactonase double mutant
分子名称: DI(HYDROXYETHYL)ETHER, Lactonase for protein
著者Zheng, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T.
登録日2018-01-18
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal Structure of a Mycoestrogen-Detoxifying Lactonase from Rhinocladiella mackenziei: Molecular Insight into ZHD Substrate Selectivity
Acs Catalysis, 8, 2018
5ZXK
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Crystal structure of intracellular B30.2 domain of BTN3A1 in complex with HMBPP
分子名称: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, Butyrophilin subfamily 3 member A1
著者Yang, Y.Y, Liu, W.D, Chen, C.C, Guo, R.T, Zhang, Y.H.
登録日2018-05-21
公開日2019-04-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献A Structural Change in Butyrophilin upon Phosphoantigen Binding Underlies Phosphoantigen-Mediated V gamma 9V delta 2 T Cell Activation.
Immunity, 50, 2019
8J5N
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Crystal structure of a PETase variant V20 from Ideonella sakaiensis
分子名称: Poly(ethylene terephthalate) hydrolase
著者Wei, H.L, Gao, S.F, Li, Q, Liu, W.D, Zhu, L.L.
登録日2023-04-23
公開日2024-04-24
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of a PETase variant V20 from Ideonella sakaiensis
To Be Published
1VZJ
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Structure of the tetramerization domain of acetylcholinesterase: four-fold interaction of a WWW motif with a left-handed polyproline helix
分子名称: ACETYLCHOLINESTERASE, ACETYLCHOLINESTERASE COLLAGENIC TAIL PEPTIDE
著者Dvir, H, Harel, M, Bon, S, Liu, W.-Q, Vidal, M, Garbay, C, Sussman, J.L, Massoulie, J, Silman, I.
登録日2004-05-20
公開日2005-01-10
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献The Synaptic Acetylcholinesterase Tetramer Assembles Around a Polyproline-II Helix
Embo J., 23, 2004
2CTN
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STRUCTURE OF CALCIUM-SATURATED CARDIAC TROPONIN C, NMR, 30 STRUCTURES
分子名称: CALCIUM ION, TROPONIN C
著者Sia, S.K, Li, M.X, Spyracopoulos, L, Gagne, S.M, Liu, W, Putkey, J.A, Sykes, B.D.
登録日1997-05-06
公開日1998-05-06
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Structure of cardiac muscle troponin C unexpectedly reveals a closed regulatory domain.
J.Biol.Chem., 272, 1997
5GM4
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Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellotetrose
分子名称: Endoglucanase-1, SULFATE ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
著者Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
4DJH
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Structure of the human kappa opioid receptor in complex with JDTic
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (3R)-7-hydroxy-N-{(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl}-1,2,3,4-tetrahydroisoquinoline-3-carboxamide, CITRIC ACID, ...
著者Wu, H, Wacker, D, Katritch, V, Mileni, M, Han, G.W, Vardy, E, Liu, W, Thompson, A.A, Huang, X.P, Carroll, F.I, Mascarella, S.W, Westkaemper, R.B, Mosier, P.D, Roth, B.L, Cherezov, V, Stevens, R.C, GPCR Network (GPCR)
登録日2012-02-01
公開日2012-03-21
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献tructure of the human kappa-opioid receptor in complex with JDTic
Nature, 485, 2012
5GM5
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Crystal structure of FI-CMCase from Aspergillus aculeatus F-50 in complex with cellobiose
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Endoglucanase-1, SULFATE ION, ...
著者Huang, J.W, Liu, W.D, Zheng, Y.Y, Chen, C.C, Guo, R.T.
登録日2016-07-12
公開日2017-05-17
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Crystal structure and genetic modifications of FI-CMCase from Aspergillus aculeatus F-50
Biochem. Biophys. Res. Commun., 478, 2016
8S9Z
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Mpro inhibitors of SARS-CoV-2
分子名称: 3C-like proteinase nsp5, Mpro inhibitor
著者Blankenship, L.R, Liu, W.R.
登録日2023-03-30
公開日2024-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of MPI89 with Mpro of SARS-CoV-2 at 1.85A resolution.
To Be Published
2D82
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Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association
分子名称: 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE, CREB-binding protein
著者Sachchidanand, Resnick-Silverman, L, Yan, S, Mujtaba, S, Liu, W.J, Zeng, L, Manfredi, J.J, Zhou, M.M.
登録日2005-12-01
公開日2006-04-04
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Target structure-based discovery of small molecules that block human p53 and CREB binding protein association
Chem.Biol., 13, 2006
8STY
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BU of 8sty by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI60
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8STZ
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Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI37
分子名称: 3C-like proteinase nsp5, benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate
著者Blankenship, L.B, Liu, W.R.
登録日2023-05-11
公開日2023-08-30
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献A Systematic Survey of Reversibly Covalent Dipeptidyl Inhibitors of the SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
6IF8
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Aeromonas hydrophila MtaN-2 complexed with adenine
分子名称: 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase, ADENINE
著者Chen, J, Liu, W, Wang, L, Shang, F, Lan, J, Chen, Y, Xu, Y.
登録日2018-09-18
公開日2018-10-03
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Aeromonas hydrophila MtaN-2 complexed with adenine
To Be Published
1Y6B
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Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-(CYCLOPROPYLMETHYL)-4-(METHYLOXY)-3-({5-[3-(3-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-YL}AMINO)BENZENESULFONAMIDE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005
1Y6A
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Crystal structure of VEGFR2 in complex with a 2-anilino-5-aryl-oxazole inhibitor
分子名称: N-[5-(ETHYLSULFONYL)-2-METHOXYPHENYL]-5-[3-(2-PYRIDINYL)PHENYL]-1,3-OXAZOL-2-AMINE, Vascular endothelial growth factor receptor 2
著者Harris, P.A, Cheung, M, Hunter, R.N, Brown, M.L, Veal, J.M, Nolte, R.T, Wang, L, Liu, W, Crosby, R.M, Johnson, J.H, Epperly, A.H, Kumar, R, Luttrell, D.K, Stafford, J.A.
登録日2004-12-05
公開日2005-06-07
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Discovery and evaluation of 2-anilino-5-aryloxazoles as a novel class of VEGFR2 kinase inhibitors.
J.Med.Chem., 48, 2005

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