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9UL7
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BU of 9ul7 by Molmil
Improved thermostability of a GH3 glycosidase based on its X-ray crystal structure
Descriptor: beta-glucosidase
Authors:Dong, P.P, Dong, P.P.
Deposit date:2025-04-19
Release date:2025-06-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved thermostability of a GH3 glycosidase based on its X-ray crystal structure
To Be Published
9UAV
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BU of 9uav by Molmil
Cryo-EM structure of HRD1-SEL1L-XTP3B (state D2) complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-ASN-ALA, E3 ubiquitin-protein ligase synoviolin, ...
Authors:Qian, H.W, Liu, G.Y.
Deposit date:2025-04-01
Release date:2025-07-02
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Cryo-EM structure of HRD1-SEL1L-XTP3B (state D2) complex
To Be Published
3OAB
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BU of 3oab by Molmil
Mint deletion mutant of heterotetrameric geranyl pyrophosphate synthase in complex with ligands
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, ...
Authors:Hsieh, F.-L, Chang, T.-H, Ko, T.-P, Wang, A.H.-J.
Deposit date:2010-08-05
Release date:2010-11-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Enhanced specificity of mint geranyl pyrophosphate synthase by modifying the R-loop interactions
J.Mol.Biol., 404, 2010
9OGK
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BU of 9ogk by Molmil
Refinement of PDB-3J5R against EMD-8117 using EMAN2
Descriptor: Transient receptor potential cation channel subfamily V member 1
Authors:Chen, M.
Deposit date:2025-04-30
Release date:2025-06-04
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Building molecular model series from heterogeneous CryoEM structures using Gaussian mixture models and deep neural networks.
Commun Biol, 8, 2025
9LNX
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BU of 9lnx by Molmil
Crystal structure of T2R-TTL-YQVB9 Complex
Descriptor: 10'-methoxyvinblastine, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ...
Authors:Wu, C.Y, Wang, Y.X, Chen, Q.F.
Deposit date:2025-01-22
Release date:2025-05-07
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of T2R-TTL-YQVB9 Complex
To Be Published
9LNL
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BU of 9lnl by Molmil
Crystal structure of T2R-TTL-YQVB15 complex
Descriptor: 10',11'-difluoro-12'-methoxyvinblastine, CALCIUM ION, Detyrosinated tubulin alpha-1B chain, ...
Authors:Wu, C.Y, Wang, Y.X, Chen, Q.F.
Deposit date:2025-01-21
Release date:2025-05-07
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structure of T2R-TTL-YQVB15 complex
To Be Published
4YXU
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BU of 4yxu by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (4).
Descriptor: 4-propylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
6QTM
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BU of 6qtm by Molmil
Crystal structure of the Sir4 H-BRCT domain in complex with Ty5 pS1095 peptide
Descriptor: Regulatory protein SIR4, Ribonuclease H, SULFATE ION
Authors:Gut, H, Deshpande, I, Keusch, J.J, Challa, K, Iesmantavicius, V, Gasser, S.M.
Deposit date:2019-02-25
Release date:2019-09-18
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Sir4 H-BRCT domain interacts with phospho-proteins to sequester and repress yeast heterochromatin.
Embo J., 38, 2019
5D4C
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BU of 5d4c by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
Authors:Zhang, Y, Ebright, R.H.
Deposit date:2015-08-07
Release date:2016-07-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
9QMP
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BU of 9qmp by Molmil
E.coli seryl-tRNA synthetase
Descriptor: Serine--tRNA ligase
Authors:Cusack, S.
Deposit date:2025-03-24
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:A second class of synthetase structure revealed by X-ray analysis of Escherichia coli seryl-tRNA synthetase at 2.5 A.
Nature, 347, 1990
9QOF
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BU of 9qof by Molmil
E.coli seryl-tRNA synthetase (Arm deletion mutant) bound to sulphamoyl seryl-adenylate analogue
Descriptor: 5'-O-(N-(L-SERYL)-SULFAMOYL)ADENOSINE, MAGNESIUM ION, SULFATE ION, ...
Authors:Cusack, S, Belrhali, H, Price, S, Leberman, R.
Deposit date:2025-03-26
Release date:2025-05-14
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Seryl-tRNA synthetase from Escherichia coli,implication of its N-terminal domain in aminoacylation activity and specificity.
Nucleic Acids Res, 22, 1994
8J3S
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BU of 8j3s by Molmil
Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand
Descriptor: Assemblin, PHE-ILE-THR-GLY-HIS-TYR-TRP-VAL-ARG-PHE-LEU-PRO-CYS-GLY
Authors:Yoshida, S, Sako, Y, Nikaido, E, Ueda, T, Kozono, I, Ichihashi, Y, Nakahashi, A, Onishi, M, Yamatsu, Y, Kato, T, Nishikawa, J, Tachibana, Y.
Deposit date:2023-04-18
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Peptide-to-Small Molecule: Discovery of Non-Covalent, Active-Site Inhibitors of beta-Herpesvirus Proteases.
Acs Med.Chem.Lett., 14, 2023
4YXO
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BU of 4yxo by Molmil
Human Carbonic Anhydrase II complexed with an inhibitor with a benzenesulfonamide group (3).
Descriptor: 4-ethylbenzenesulfonamide, Carbonic anhydrase 2, GLYCEROL, ...
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2015-03-23
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Kinetic and Structural Insights into the Mechanism of Binding of Sulfonamides to Human Carbonic Anhydrase by Computational and Experimental Studies.
J.Med.Chem., 59, 2016
3WK2
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BU of 3wk2 by Molmil
Orotidine 5'-monophosphate decarboxylase K72A mutant from M. thermoautotrophicus complexed with orotidine 5'-monophosphate methyl ester
Descriptor: 6-(methoxycarbonyl)uridine 5'-(dihydrogen phosphate), GLYCEROL, Orotidine 5'-phosphate decarboxylase
Authors:Fujihashi, M, Pai, E.F, Miki, K.
Deposit date:2013-10-17
Release date:2013-12-04
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Substrate distortion contributes to the catalysis of orotidine 5'-monophosphate decarboxylase.
J.Am.Chem.Soc., 135, 2013
2P8P
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BU of 2p8p by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide LELDKWASLW[N-Ac]
Descriptor: gp41 peptide, nmAb 2F5, heavy chain, ...
Authors:Bryson, S, Julien, J.-P, Pai, E.F.
Deposit date:2007-03-22
Release date:2007-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
4Q2Y
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BU of 4q2y by Molmil
Crystal structure of Arginyl-tRNA synthetase
Descriptor: Arginine--tRNA ligase, cytoplasmic
Authors:Kim, H.S, Jo, C.H, Cha, S.Y, Han, A.R, Hwang, K.Y.
Deposit date:2014-04-10
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.799 Å)
Cite:The crystal structure of arginyl-tRNA synthetase from Homo sapiens
Febs Lett., 588, 2014
1TY9
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BU of 1ty9 by Molmil
X-RAY CRYSTAL STRUCTURE OF PHZG FROM PSEUDOMONAS FLUORESCENS
Descriptor: FLAVIN MONONUCLEOTIDE, Phenazine biosynthesis protein phzG, SULFATE ION
Authors:Parsons, J.F, Eisenstein, E, Ladner, J.E.
Deposit date:2004-07-07
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of the phenazine biosynthesis enzyme PhzG.
Acta Crystallogr.,Sect.D, 60, 2004
1LY3
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BU of 1ly3 by Molmil
ANALYSIS OF QUINAZOLINE AND PYRIDOPYRIMIDINE N9-C10 REVERSED BRIDGE ANTIFOLATES IN COMPLEX WITH NADP+ AND PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE
Descriptor: 2,4-DIAMINO-6-[N-(2',5'-DIMETHOXYBENZYL)-N-METHYLAMINO]QUINAZOLINE, DIHYDROFOLATE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Queener, S.F, Gangjee, A.
Deposit date:2002-06-06
Release date:2002-08-28
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Analysis of quinazoline and pyrido[2,3-d]pyrimidine N9-C10 reversed-bridge antifolates in complex with NADP+ and Pneumocystis carinii dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 58, 2002
2Z4J
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BU of 2z4j by Molmil
Crystal structure of AR LBD with SHP peptide NR Box 2
Descriptor: 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, Nuclear receptor 0B2
Authors:Jouravel, N, Fletterick, R.J.
Deposit date:2007-06-19
Release date:2007-12-04
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Interaction between the androgen receptor and a segment of its corepressor SHP
Acta Crystallogr.,Sect.D, 63, 2007
4QH4
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BU of 4qh4 by Molmil
The GLIC pentameric Ligand-Gated Ion Channel (wild-type) crystallized in acetate buffer at pH3
Descriptor: ACETATE ION, DODECYL-BETA-D-MALTOSIDE, Proton-gated ion channel, ...
Authors:Fourati, Z, Delarue, M, Sauguet, L.
Deposit date:2014-05-26
Release date:2015-07-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural characterization of potential modulation sites in the extracellular domain of the prokaryotic pentameric proton-gated ion channel GLIC
To be Published
2P8L
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BU of 2p8l by Molmil
Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELLELDKWASLWN
Descriptor: gp41 peptide, nmAb 2F5, heavy chain, ...
Authors:Julien, J.P, Bryson, S, Pai, E.F.
Deposit date:2007-03-22
Release date:2007-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural details of HIV-1 recognition by the broadly neutralizing monoclonal antibody 2F5: epitope conformation, antigen-recognition loop mobility, and anion-binding site.
J.Mol.Biol., 384, 2008
5NY6
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BU of 5ny6 by Molmil
Carbonic Anhydrase II Inhibitor RA12
Descriptor: 4-chloranyl-~{N}-[(1~{R})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, 4-chloranyl-~{N}-[(1~{S})-1-(2-hydroxyphenyl)ethyl]-3-sulfamoyl-benzamide, Carbonic anhydrase 2, ...
Authors:Brynda, J, Rezacova, P, Horejsi, M, Fanfrlik, J.
Deposit date:2017-05-11
Release date:2018-01-17
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Ranking Power of the SQM/COSMO Scoring Function on Carbonic Anhydrase II-Inhibitor Complexes.
Chemphyschem, 19, 2018
2ONE
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BU of 2one by Molmil
ASYMMETRIC YEAST ENOLASE DIMER COMPLEXED WITH RESOLVED 2'-PHOSPHOGLYCERATE AND PHOSPHOENOLPYRUVATE
Descriptor: 2-PHOSPHOGLYCERIC ACID, ENOLASE, LITHIUM ION, ...
Authors:Lebioda, L.
Deposit date:1997-09-08
Release date:1998-01-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of enolase: the crystal structure of asymmetric dimer enolase-2-phospho-D-glycerate/enolase-phosphoenolpyruvate at 2.0 A resolution.
Biochemistry, 36, 1997
5UJJ
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BU of 5ujj by Molmil
Crystal structure of human H130R tryptophanyl-tRNA synthetase in complex with TrpAMP
Descriptor: MAGNESIUM ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase, ...
Authors:Xu, X, Yang, X.-L.
Deposit date:2017-01-18
Release date:2018-01-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An alternative conformation of human TrpRS suggests a role of zinc in activating non-enzymatic function.
RNA Biol, 15, 2018
4Q2T
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BU of 4q2t by Molmil
Crystal structure of Arginyl-tRNA synthetase complexed with L-arginine
Descriptor: ARGININE, Arginine--tRNA ligase, cytoplasmic, ...
Authors:Kim, H.S, Jo, C.H, Cha, S.Y, Han, A.R, Hwang, K.Y.
Deposit date:2014-04-09
Release date:2014-07-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The crystal structure of arginyl-tRNA synthetase from Homo sapiens
Febs Lett., 588, 2014

238582

数据于2025-07-09公开中

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