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3JCO
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BU of 3jco by Molmil
Structure of yeast 26S proteasome in M1 state derived from Titan dataset
分子名称: 26S protease regulatory subunit 4 homolog, 26S protease regulatory subunit 6A, 26S protease regulatory subunit 6B homolog, ...
著者Luan, B, Huang, X.L, Wu, J.P, Shi, Y.G, Wang, F.
登録日2016-01-06
公開日2016-06-15
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Structure of an endogenous yeast 26S proteasome reveals two major conformational states.
Proc.Natl.Acad.Sci.USA, 113, 2016
4DNW
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BU of 4dnw by Molmil
Crystal structure of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.773 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
4DNV
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BU of 4dnv by Molmil
Crystal structure of the W285F mutant of UVB-resistance protein UVR8
分子名称: AT5g63860/MGI19_6
著者Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
登録日2012-02-09
公開日2012-03-07
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.999 Å)
主引用文献Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
7XVE
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BU of 7xve by Molmil
Human Nav1.7 mutant class-I
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-21
公開日2022-08-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVF
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BU of 7xvf by Molmil
Nav1.7 mutant class2
分子名称: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
著者Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
登録日2022-05-22
公開日2022-08-10
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
6AGF
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BU of 6agf by Molmil
Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta1
分子名称: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Pan, X.J, li, Z.Q, Zhou, Q, Shen, H.Z, Wu, K, Huang, X.S, Chen, J.F, Zhang, J.R, Zhu, X.C, Lei, J.L, Xiong, W, Gong, H.P, Xiao, B.L, Yan, N.
登録日2018-08-11
公開日2018-10-10
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structure of the human voltage-gated sodium channel Nav1.4 in complex with beta 1.
Science, 362, 2018
6VIZ
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BU of 6viz by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.391 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VIW
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BU of 6viw by Molmil
BRD4_Bromodomain1 complex with pyrrolopyridone compound 18
分子名称: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.429 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
6VIY
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BRD2_Bromodomain2 complex with pyrrolopyridone compound 27
分子名称: 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 2
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.904 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
4REY
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BU of 4rey by Molmil
Crystal Structure of the GRASP65-GM130 C-terminal peptide complex
分子名称: Golgi reassembly-stacking protein 1, Golgin subfamily A member 2, SULFATE ION
著者Shi, N, Hu, F, Li, B.
登録日2014-09-24
公開日2015-09-23
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structural Basis for the Interaction between the Golgi Reassembly-stacking Protein GRASP65 and the Golgi Matrix Protein GM130.
J.Biol.Chem., 290, 2015
6VIX
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BU of 6vix by Molmil
BRD4_Bromodomain2 complex with pyrrolopyridone compound 18
分子名称: 4-[2-(2,4-difluorophenoxy)-5-(methylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide, Bromodomain-containing protein 4
著者Longenecker, K.L, Park, C.H, Qiu, W.
登録日2020-01-14
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.116 Å)
主引用文献Discovery ofN-Ethyl-4-[2-(4-fluoro-2,6-dimethyl-phenoxy)-5-(1-hydroxy-1-methyl-ethyl)phenyl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (ABBV-744), a BET Bromodomain Inhibitor with Selectivity for the Second Bromodomain.
J.Med.Chem., 63, 2020
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
4IAR
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BU of 4iar by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with ergotamine (PSI Community Target)
分子名称: (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Ergotamine
著者Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
登録日2012-12-07
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
1XWN
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BU of 1xwn by Molmil
solution structure of cyclophilin like 1(PPIL1) and insights into its interaction with SKIP
分子名称: Peptidyl-prolyl cis-trans isomerase like 1
著者Xu, C, Xu, Y, Tang, Y, Wu, J, Shi, Y, Huang, Q, Zhang, Q.
登録日2004-11-01
公開日2005-10-18
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of human peptidyl prolyl isomerase like protein 1 and insights into its interaction with SKIP
J.Biol.Chem., 281, 2006
4JWR
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BU of 4jwr by Molmil
Co-crystal structure of MDM2 with inhibitor {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
分子名称: E3 ubiquitin-protein ligase Mdm2, {(2S,5R,6S)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2S)-1-hydroxybutan-2-yl]-3-oxomorpholin-2-yl}acetic acid
著者Shaffer, P.L.
登録日2013-03-27
公開日2013-05-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Rational Design and Binding Mode Duality of MDM2-p53 Inhibitors.
J.Med.Chem., 56, 2013
6OQY
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BU of 6oqy by Molmil
Human LRH-1 bound to the agonist 6N and a fragment of the Tif2 coregulator
分子名称: N-[(1S,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-yl]sulfuric diamide, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2
著者Mays, S.G, Ortlund, E.A.
登録日2019-04-29
公開日2019-08-28
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献Development of the First Low Nanomolar Liver Receptor Homolog-1 Agonist through Structure-guided Design.
J.Med.Chem., 62, 2019
4IAQ
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BU of 4iaq by Molmil
Crystal structure of the chimeric protein of 5-HT1B-BRIL in complex with dihydroergotamine (PSI Community Target)
分子名称: Chimera protein of human 5-hydroxytryptamine receptor 1B and E. Coli soluble cytochrome b562, Dihydroergotamine
著者Wang, C, Jiang, Y, Ma, J, Wu, H, Wacker, D, Katritch, V, Han, G.W, Liu, W, Huang, X, Vardy, E, McCorvy, J.D, Gao, X, Zhou, E.X, Melcher, K, Zhang, C, Bai, F, Yang, H, Yang, L, Jiang, H, Roth, B.L, Cherezov, V, Stevens, R.C, Xu, H.E, GPCR Network (GPCR)
登録日2012-12-07
公開日2013-03-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis for molecular recognition at serotonin receptors.
Science, 340, 2013
8JTN
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BU of 8jtn by Molmil
Tudor domain of TDRD3 in complex with a small molecule
分子名称: 2-propyl-2-azoniatricyclo[7.3.0.0^{3,7}]dodeca-1(9),2,7-trien-8-amine, Tudor domain-containing protein 3
著者Chen, M, Wang, Z, Li, W, Shang, X, Liu, Y.
登録日2023-06-22
公開日2023-08-09
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of Tudor domain of TDRD3 in complex with a small molecule antagonist.
Biochim Biophys Acta Gene Regul Mech, 1866, 2023
5GHZ
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BU of 5ghz by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "pre-deacylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2016-06-21
公開日2017-01-25
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
5GHX
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BU of 5ghx by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H
分子名称: 1,2-ETHANEDIOL, ACETIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2016-06-21
公開日2017-01-25
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
5GHY
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BU of 5ghy by Molmil
Crystal structure of beta-lactamase PenP mutant-E166H in complex with cephaloridine as "post-acylation" intermediate
分子名称: 5-METHYL-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-3,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID, Beta-lactamase
著者Pan, X, Zhao, Y.
登録日2016-06-21
公開日2017-01-25
最終更新日2017-03-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic Snapshots of Class A beta-Lactamase Catalysis Reveal Structural Changes That Facilitate beta-Lactam Hydrolysis
J. Biol. Chem., 292, 2017
6M1I
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BU of 6m1i by Molmil
CryoEM structure of human PAC1 receptor in complex with PACAP38
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(s) subunit alpha isoforms short, ...
著者Song, X, Wang, J, Zhang, D, Wang, H.W, Ma, Y.
登録日2020-02-26
公開日2020-03-11
最終更新日2020-05-27
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Cryo-EM structures of PAC1 receptor reveal ligand binding mechanism.
Cell Res., 30, 2020
5GMJ
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BU of 5gmj by Molmil
Crystal Structure of GRASP55 GRASP domain in complex with JAM-B C-terminus
分子名称: Golgi reassembly-stacking protein 2, Junctional adhesion molecule B
著者Shi, N, Shi, X, Morelli, X, Betzi, S, Huang, X.
登録日2016-07-14
公開日2017-05-24
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.986 Å)
主引用文献Genetic, structural, and chemical insights into the dual function of GRASP55 in germ cell Golgi remodeling and JAM-C polarized localization during spermatogenesis
PLoS Genet., 13, 2017
8KDM
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BU of 8kdm by Molmil
Structure of SARS-CoV Spike protein complexed with antibody PW5-5
分子名称: PW5-5 heavy chain, PW5-5 light chain, Spike glycoprotein
著者Sun, L, Mao, Q, Wang, Y.
登録日2023-08-09
公開日2024-08-14
実験手法ELECTRON MICROSCOPY (2.87 Å)
主引用文献Potent and broadly neutralizing antibodies against sarbecoviruses induced by sequential COVID-19 vaccination.
Cell Discov, 10, 2024

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