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1R0B
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BU of 1r0b by Molmil
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, CITRATE ANION, ...
Authors:Huang, J, Lipscomb, W.N.
Deposit date:2003-09-19
Release date:2004-06-08
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate
Biochemistry, 43, 2004
1O15
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BU of 1o15 by Molmil
THEOPHYLLINE-BINDING RNA IN COMPLEX WITH THEOPHYLLINE, NMR, REGULARIZED MEAN STRUCTURE, REFINEMENT WITH TORSION ANGLE AND BASE-BASE POSITIONAL DATABASE POTENTIALS AND DIPOLAR COUPLINGS
Descriptor: THEOPHYLLINE, THEOPHYLLINE-BINDING RNA
Authors:Clore, G.M, Kuszewski, J.
Deposit date:2002-10-21
Release date:2003-02-18
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Improving the Accuracy of NMR Structures of RNA by Means of Conformational Database Potentials of Mean Force as Assessed by Complete Dipolar Coupling Cross-Validation
J.Am.Chem.Soc., 125, 2003
1Q95
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BU of 1q95 by Molmil
Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R State Bound to PALA, or to Product Analogues Phosphate and Citrate
Descriptor: Aspartate carbamoyltransferase catalytic chain, Aspartate carbamoyltransferase regulatory chain, N-(PHOSPHONACETYL)-L-ASPARTIC ACID, ...
Authors:Huang, J, Lipscomb, W.N.
Deposit date:2003-08-22
Release date:2004-06-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Aspartate Transcarbamylase (ATCase) of Escherichia coli: A New Crystalline R-State Bound to PALA, or to Product Analogues Citrate and Phosphate
Biochemistry, 43, 2004
3D9S
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BU of 3d9s by Molmil
Human Aquaporin 5 (AQP5) - High Resolution X-ray Structure
Descriptor: Aquaporin-5, O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
Authors:Horsefield, R, Norden, K, Fellert, M, Backmark, A, Tornroth-Horsefield, S, Terwisscha Van Scheltinga, A.C, Kvassman, J, Kjellbom, P, Johanson, U, Neutze, R.
Deposit date:2008-05-27
Release date:2008-08-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:High-resolution x-ray structure of human aquaporin 5
Proc.Natl.Acad.Sci.Usa, 105, 2008
8HI9
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BU of 8hi9 by Molmil
SARS-CoV-2 3CL protease (3CLpro) in complex with Robinetin
Descriptor: 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one, 3C-like proteinase nsp5
Authors:Su, H.X, Xie, H, Li, M.J, Xu, Y.C.
Deposit date:2022-11-19
Release date:2023-10-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of Polyphenolic Natural Products as SARS-CoV-2 M pro Inhibitors for COVID-19.
Pharmaceuticals, 16, 2023
6WXJ
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BU of 6wxj by Molmil
CSF1R signaling is a regulator of pathogenesis in progressive MS
Descriptor: 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine, Macrophage colony-stimulating factor 1 receptor
Authors:Liu, J.
Deposit date:2020-05-10
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:CSF1R signaling is a regulator of pathogenesis in progressive MS.
Cell Death Dis, 11, 2020
6BL8
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BU of 6bl8 by Molmil
Predicting the Conformational Variability of Abl Tyrosine Kinase Using Molecular Dynamics Simulations and Markov State Models
Descriptor: PURVALANOL B, SULFATE ION, Tyrosine-protein kinase ABL1
Authors:Clawson, D.K, Gao, C.
Deposit date:2017-11-09
Release date:2018-03-07
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Predicting the Conformational Variability of Abl Tyrosine Kinase using Molecular Dynamics Simulations and Markov State Models.
J Chem Theory Comput, 14, 2018
8DOA
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BU of 8doa by Molmil
Solution structure of a model HEEH mini-protein (HEEH_TK_rd5_0958)
Descriptor: HEEH mini-protein TK_rd5_0958
Authors:Houliston, S, Kim, T.-E, Rocklin, G, Arrowsmith, C.H.
Deposit date:2022-07-12
Release date:2022-10-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dissecting the stability determinants of a challenging de novo protein fold using massively parallel design and experimentation.
Proc.Natl.Acad.Sci.USA, 119, 2022
8EB2
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BU of 8eb2 by Molmil
Structure of HLA-A*02:01 in complex with NY-ESO-1 peptide and PA2.1 Fab
Descriptor: Beta-2-microglobulin, HLA-A*02:01 alpha chain, NY-ESO-1 peptide, ...
Authors:Jette, C.A, West, A.P.
Deposit date:2022-08-30
Release date:2022-11-30
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:HLA-A∗02-gated safety switch for cancer therapy has exquisite specificity for its allelic target antigen.
Mol Ther Oncolytics, 27, 2022
7Z81
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BU of 7z81 by Molmil
REP-related Chom18 variant with double TC mismatch
Descriptor: Chom18-TC DNA, STRONTIUM ION
Authors:Svoboda, J, Schneider, B, Berdar, D, Kolenko, P.
Deposit date:2022-03-16
Release date:2023-03-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Conformation-based refinement of 18-mer DNA structures.
Acta Crystallogr D Struct Biol, 79, 2023
7YTX
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BU of 7ytx by Molmil
Crystal structure of TLR8 in complex with its antagonist
Descriptor: (2R,6R)-4-(8-cyanoquinolin-5-yl)-N-[(3S,4R)-4-fluoranylpyrrolidin-3-yl]-6-methyl-morpholine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Shimizu, T, Sakaniwa, K.
Deposit date:2022-08-16
Release date:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A novel Toll-like receptor 7/8-specific antagonist E6742 ameliorates clinically relevant disease parameters in murine models of lupus.
Eur.J.Pharmacol., 957, 2023
1LVN
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BU of 1lvn by Molmil
CRYSTAL STRUCTURE OF E. COLI AMINE OXIDASE COMPLEXED WITH TRANYLCYPROMINE
Descriptor: CALCIUM ION, COPPER (II) ION, Copper amine oxidase
Authors:Wilmot, C.M, Phillips, S.E.
Deposit date:2002-05-28
Release date:2003-08-05
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Medical implications from the crystal structure of a copper-containing amine oxidase complexed with the antidepressant drug tranylcypromine.
Febs Lett., 576, 2004
1LW9
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BU of 1lw9 by Molmil
Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability
Descriptor: 2-HYDROXYETHYL DISULFIDE, CHLORIDE ION, LYSOZYME, ...
Authors:Gassner, N.C, Baase, W.A, Mooers, B.H.M, Busam, R.D, Weaver, L.H, Lindstrom, J.D, Quillin, M.L, Matthews, B.W.
Deposit date:2002-05-30
Release date:2003-05-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Multiple methionine substitutions are tolerated in T4 lysozyme and have coupled effects on folding and stability.
Biophys.Chem., 100, 2003
5TMF
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BU of 5tmf by Molmil
Re-refinement of thermus thermophilus RNA polymerase
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Wang, J.
Deposit date:2016-10-12
Release date:2016-11-23
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:On the validation of crystallographic symmetry and the quality of structures.
Protein Sci., 24, 2015
5E7W
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BU of 5e7w by Molmil
X-ray Structure of Human Recombinant 2Zn insulin at 0.92 Angstrom
Descriptor: ACETATE ION, Insulin, N-PROPANOL, ...
Authors:Lisgarten, D.R, Naylor, C.E, Palmer, R.A, Lobley, C.M.C.
Deposit date:2015-10-13
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (0.9519 Å)
Cite:Ultra-high resolution X-ray structures of two forms of human recombinant insulin at 100 K.
Chem Cent J, 11, 2017
8OLT
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BU of 8olt by Molmil
Mitochondrial complex I from Mus musculus in the active state bound with piericidin A
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-03-30
Release date:2023-08-09
Method:ELECTRON MICROSCOPY (2.84 Å)
Cite:Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8OM1
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BU of 8om1 by Molmil
Mitochondrial complex I from Mus musculus in the active state
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Grba, D.N, Chung, I, Bridges, H.R, Agip, A.N.A, Hirst, J.
Deposit date:2023-03-31
Release date:2023-08-09
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (2.39 Å)
Cite:Investigation of hydrated channels and proton pathways in a high-resolution cryo-EM structure of mammalian complex I.
Sci Adv, 9, 2023
8ELH
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BU of 8elh by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANQF from SARS-CoV-2 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8ELG
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BU of 8elg by Molmil
Crystal Structure of HLA-B*15:01 in complex with spike derived peptide NQKLIANAF from OC43 virus
Descriptor: ACETATE ION, Beta-2-microglobulin, NQK-OC43 peptide, ...
Authors:Murdolo, L.D, Gras, S.
Deposit date:2022-09-24
Release date:2023-06-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A common allele of HLA is associated with asymptomatic SARS-CoV-2 infection.
Nature, 620, 2023
8S6E
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BU of 8s6e by Molmil
Monoclonal antibody MenW targeting serogroup W of Neisseria meningitidis
Descriptor: MenW.01 Heavy chain, MenW.01 Light chain, SODIUM ION
Authors:Pietri, G.P, Bertuzzi, S, Karnicar, K, Unione, L, Lisnic, B, Malic, S, Miklic, K, Novak, M, Calloni, I, Santini, L, Usenik, A, Rosaria Romano, M, Adamo, R, Jonjic, S, Turk, D, Jimenez-Barbero, J, Lenac Rovis, T.
Deposit date:2024-02-27
Release date:2024-06-26
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antigenic determinants driving serogroup-specific antibody response to Neisseria meningitidis C, W, and Y capsular polysaccharides: Insights for rational vaccine design.
Carbohydr Polym, 341, 2024
8S8A
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BU of 8s8a by Molmil
Human pyridoxal phosphatase in complex with 7,8-dihydroxyflavone without phosphate
Descriptor: 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one, CHLORIDE ION, Chronophin, ...
Authors:Brenner, M, Gohla, A, Schindelin, H.
Deposit date:2024-03-06
Release date:2024-06-12
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:7,8-Dihydroxyflavone is a direct inhibitor of human and murine pyridoxal phosphatase.
Elife, 13, 2024
6OH1
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BU of 6oh1 by Molmil
IgA1 Protease G5 domain structure
Descriptor: Immunoglobulin A1 protease
Authors:Eisenmesser, E.Z, Chi, Y.C, Paukovich, N, Redzic, J.S, Rahkola, J.T, Janoff, E.N.
Deposit date:2019-04-04
Release date:2020-02-26
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Streptococcus pneumoniae G5 domains bind different ligands.
Protein Sci., 28, 2019
8BC9
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BU of 8bc9 by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 24
Descriptor: 1,2-ETHANEDIOL, N-hydroxybenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCC
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BU of 8bcc by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 39
Descriptor: 1,2-ETHANEDIOL, 3-oxidanylbenzenesulfonamide, Pre-mRNA-processing-splicing factor 8, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023
8BCA
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BU of 8bca by Molmil
Human Brr2 Helicase Region in complex with C-tail deleted Jab1 and compound 26
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-~{N}-methyl-4-(methylamino)benzenesulfonamide, GLYCEROL, ...
Authors:Vester, K, Loll, B, Wahl, M.C.
Deposit date:2022-10-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformation-dependent ligand hot spots in the spliceosomal RNA helicase BRR2.
Acta Crystallogr D Struct Biol, 79, 2023

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数据于2024-10-16公开中

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