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6RG3
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BU of 6rg3 by Molmil
Crystal structure of human Carbonic anhydrase II in complex with (R)-4-(2-benzylpiperazin-1-yl)benzenesulfonamide
分子名称: 4-[(2~{R})-2-(phenylmethyl)piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Ferraroni, M, Angeli, A, Supuran, C.
登録日2019-04-16
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Sulfonamides incorporating piperazine bioisosteres as potent human carbonic anhydrase I, II, IV and IX inhibitors.
Bioorg.Chem., 91, 2019
6RVK
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BU of 6rvk by Molmil
Crystal structure of hCA II in complex with Urea, N-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-6-yl)-N'-(phenylmethyl)-
分子名称: 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(phenylmethyl)urea, Carbonic anhydrase 2, ZINC ION
著者Di Fiore, A, De Simone, G.
登録日2019-05-31
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Exploring benzoxaborole derivatives as carbonic anhydrase inhibitors: a structural and computational analysis reveals their conformational variability as a tool to increase enzyme selectivity.
J Enzyme Inhib Med Chem, 34, 2019
6EOC
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BU of 6eoc by Molmil
Crystal structure of AMPylated GRP78 in apo form (Crystal form 2)
分子名称: 78 kDa glucose-regulated protein, CITRATE ANION, SULFATE ION
著者Yan, Y, Preissler, S, Ron, D, Read, R.J.
登録日2017-10-09
公開日2017-11-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献AMPylation targets the rate-limiting step of BiP's ATPase cycle for its functional inactivation.
Elife, 6, 2017
3IWL
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BU of 3iwl by Molmil
Crystal structure of cisplatin bound to a human copper chaperone (monomer)
分子名称: 3,3',3''-phosphanetriyltripropanoic acid, Copper transport protein ATOX1, PLATINUM (II) ION, ...
著者Boal, A.K, Rosenzweig, A.C.
登録日2009-09-02
公開日2009-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structures of cisplatin bound to a human copper chaperone.
J.Am.Chem.Soc., 131, 2009
6OB1
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BU of 6ob1 by Molmil
Structure of WHB in complex with Ubiquitin Variant
分子名称: Anaphase-promoting complex subunit 2, Ubiquitin
著者Edmond, R.W, Grace, C.R.
登録日2019-03-19
公開日2019-08-14
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Protein engineering of a ubiquitin-variant inhibitor of APC/C identifies a cryptic K48 ubiquitin chain binding site.
Proc.Natl.Acad.Sci.USA, 116, 2019
7UQX
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BU of 7uqx by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Exostosin-1, Exostosin-2, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2023-05-17
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
6ODZ
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BU of 6odz by Molmil
Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects
分子名称: 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Peat, T.S.
登録日2019-03-27
公開日2019-06-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Benzensulfonamides bearing spyrohydantoin moieties act as potent inhibitors of human carbonic anhydrases II and VII and show neuropathic pain attenuating effects.
Eur.J.Med.Chem., 177, 2019
7UQY
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BU of 7uqy by Molmil
Cryo-EM structure of the human Exostosin-1 and Exostosin-2 heterodimer in complex with UDP-GlcA
分子名称: Exostosin-1, Exostosin-2, URIDINE-5'-DIPHOSPHATE, ...
著者Li, H, Li, H.
登録日2022-04-20
公開日2022-09-28
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural basis for heparan sulfate co-polymerase action by the EXT1-2 complex.
Nat.Chem.Biol., 19, 2023
6S3K
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BU of 6s3k by Molmil
KimA from Bacillus subtilis in inward-facing, occluded state
分子名称: APC family permease, POTASSIUM ION
著者Tascon, I, Sousa, J.S, Vonck, J, Haenelt, I.
登録日2019-06-25
公開日2020-02-12
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural basis of proton-coupled potassium transport in the KUP family.
Nat Commun, 11, 2020
6E92
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BU of 6e92 by Molmil
CA IX mimic Complexed with Steroidal Sulfamate Compound STX 2845
分子名称: 6-(sulfamoyloxy)-2-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium, Carbonic anhydrase 2, ZINC ION
著者Andring, J.T, Mckenna, R.
登録日2018-07-31
公開日2019-03-27
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.772 Å)
主引用文献3,17 beta-Bis-sulfamoyloxy-2-methoxyestra-1,3,5(10)-triene and Nonsteroidal Sulfamate Derivatives Inhibit Carbonic Anhydrase IX: Structure-Activity Optimization for Isoform Selectivity.
J. Med. Chem., 62, 2019
6S60
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BU of 6s60 by Molmil
Crystal structure of hTEAD2 in complex with a trisubstituted pyrazole inhibitor
分子名称: 4-[3-(3,4-dichlorophenyl)-4-[(phenylmethyl)carbamoyl]pyrazol-1-yl]butanoic acid, MYRISTIC ACID, Transcriptional enhancer factor TEF-4
著者Sturbaut, M, Allemand, F, Guichou, J.F.
登録日2019-07-02
公開日2020-07-22
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a cryptic site at the interface 2 of TEAD - Towards a new family of YAP/TAZ-TEAD inhibitors.
Eur.J.Med.Chem., 226, 2021
6OUB
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BU of 6oub by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-694B
分子名称: 4-{[(2-hydroxyethyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.418 Å)
主引用文献Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-694B
To Be Published
6OUE
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BU of 6oue by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-707A
分子名称: 4-{[(4-hydroxybutyl)carbamoyl]amino}benzene-1-sulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.415 Å)
主引用文献Carbonic Anhydrase II complexed with ureido benzene sulfonamide MB11-707A
To Be Published
7MQZ
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BU of 7mqz by Molmil
Cytochrome c oxidase assembly factor 7
分子名称: Cytochrome c oxidase assembly factor 7
著者Maghool, S, Maher, M.J.
登録日2021-05-07
公開日2022-03-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Mitochondrial COA7 is a heme-binding protein with disulfide reductase activity, which acts in the early stages of complex IV assembly.
Proc.Natl.Acad.Sci.USA, 119, 2022
7K5I
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BU of 7k5i by Molmil
SARS-COV-2 nsp1 in complex with human 40S ribosome
分子名称: 40S ribosomal protein S10, 40S ribosomal protein S11, 40S ribosomal protein S12, ...
著者Wang, L, Shi, M, Wu, H.
登録日2020-09-16
公開日2020-10-14
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献SARS-CoV-2 Nsp1 suppresses host but not viral translation through a bipartite mechanism.
Biorxiv, 2020
7JVP
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BU of 7jvp by Molmil
Cryo-EM structure of SKF-83959-bound dopamine receptor 1 in complex with Gs protein
分子名称: (1R)-6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-22
公開日2021-02-24
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
7JV5
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BU of 7jv5 by Molmil
Cryo-EM structure of SKF-81297-bound dopamine receptor 1 in complex with Gs protein
分子名称: (1R)-6-chloro-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CHOLESTEROL, D(1A) dopamine receptor, ...
著者Zhuang, Y, Xu, P, Mao, C, Wang, L, Krumm, B, Zhou, X.E, Huang, S, Liu, H, Cheng, X, Huang, X.-P, Sheng, D.-D, Xu, T, Liu, Y.-F, Wang, Y, Guo, J, Jiang, Y, Jiang, H, Melcher, K, Roth, B.L, Zhang, Y, Zhang, C, Xu, H.E.
登録日2020-08-20
公開日2021-02-24
最終更新日2024-11-06
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural insights into the human D1 and D2 dopamine receptor signaling complexes.
Cell, 184, 2021
6LBN
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BU of 6lbn by Molmil
Structure of SIL1-bound FEM1C
分子名称: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-14
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.899 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6RIT
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BU of 6rit by Molmil
Human Carbonic Anhydrase II in complex with 2-Fluorobenzenesulfonamide
分子名称: (4-CARBOXYPHENYL)(CHLORO)MERCURY, 2-fluorobenzenesulfonamide, Carbonic anhydrase 2, ...
著者Gloeckner, S, Heine, A, Klebe, G.
登録日2019-04-25
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.007 Å)
主引用文献The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II.
Biomolecules, 10, 2020
6OUJ
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BU of 6ouj by Molmil
Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A
分子名称: 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Kota, A, McKenna, R.
登録日2019-05-04
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.466 Å)
主引用文献Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A
To Be Published
6LEY
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BU of 6ley by Molmil
Structure of Sil1G bound FEM1C
分子名称: Protein fem-1 homolog C,Peptide from Nucleotide exchange factor SIL1
著者Chen, X, Liao, S, Xu, C.
登録日2019-11-27
公開日2020-10-21
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.39 Å)
主引用文献Molecular basis for arginine C-terminal degron recognition by Cul2 FEM1 E3 ligase.
Nat.Chem.Biol., 17, 2021
6OSL
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BU of 6osl by Molmil
Cryo-EM structure of the N-terminally acetylated C-terminal Alpha-synuclein truncation Ac1-122
分子名称: Alpha-synuclein
著者Ni, X, McGlinchey, R.P, Jiang, J, Lee, J.C.
登録日2019-05-01
公開日2019-09-25
最終更新日2024-03-20
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献Structural Insights into alpha-Synuclein Fibril Polymorphism: Effects of Parkinson's Disease-Related C-Terminal Truncations.
J.Mol.Biol., 431, 2019
6EF4
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BU of 6ef4 by Molmil
Crystal structure of mouse PP2A Aalpha P179R mutant
分子名称: Serine/threonine-protein phosphatase 2A 65 kDa regulatory subunit A alpha isoform
著者Wang, Z, Shen, G, Xu, W.
登録日2018-08-16
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The Highly Recurrent PP2A A alpha-Subunit Mutation P179R Alters Protein Structure and Impairs PP2A Enzyme Function to Promote Endometrial Tumorigenesis.
Cancer Res., 79, 2019
6ROF
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BU of 6rof by Molmil
Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
分子名称: 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)sulfanyl]benzenesulfonamide, BICINE, Carbonic anhydrase 2, ...
著者Smirnov, A, Paketuryte, V, Manakova, E, Grazulis, S.
登録日2019-05-12
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Human Carbonic anhydrase II mutant T199V bound by 2-(cyclooctylamino)-3,5,6-trifluoro-4-[(2-hydroxyethyl)thio]benzenesulfonamide
To Be Published
6OTI
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BU of 6oti by Molmil
Carbonic Anhydrase IX mimic complexed with ureic benzene sulfonamide MB9-561B
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-hydroxy-3-({[(pyridin-4-yl)methyl]carbamoyl}amino)benzene-1-sulfonamide, Carbonic anhydrase 2, ...
著者Kota, A, McKenna, R.
登録日2019-05-03
公開日2020-05-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Carbonic Anhydrase IX mimic complexed with ureido benzene sulfonamide MB9-561B
To Be Published

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件を2024-11-13に公開中

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