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7UQ3
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BU of 7uq3 by Molmil
JmjC domain-containing protein 5 (JMJD5) in complex with Mn and (S)-2-(1-hydroxy-2,5-dioxopyrrolidin-3-yl)acetic acid
Descriptor: Bifunctional peptidase and arginyl-hydroxylase JMJD5, GLYCEROL, MANGANESE (II) ION, ...
Authors:Chowdhury, R, Islam, M.S, Schofield, C.J.
Deposit date:2022-04-19
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Structural analysis of the 2-oxoglutarate binding site of the circadian rhythm linked oxygenase JMJD5.
Sci Rep, 12, 2022
1KO4
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BU of 1ko4 by Molmil
Crystal structure of gluconate kinase
Descriptor: CHLORIDE ION, Gluconate kinase
Authors:Kraft, L, Sprenger, G.A, Lindqvist, Y.
Deposit date:2001-12-20
Release date:2002-05-29
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Conformational changes during the catalytic cycle of gluconate kinase as revealed by X-ray crystallography.
J.Mol.Biol., 318, 2002
5FP5
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BU of 5fp5 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid (AT222) in an alternate binding site.
Descriptor: 4-fluorobenzoic acid, ACETYL GROUP, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-09
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
6R91
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BU of 6r91 by Molmil
Cryo-EM structure of NCP_THF2(-3)-UV-DDB
Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
Authors:Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
Deposit date:2019-04-02
Release date:2019-06-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
5FP6
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BU of 5fp6 by Molmil
Structure of cyclin-dependent kinase 2 with small-molecule ligand 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol (AT17833) in an alternate binding site.
Descriptor: 3-(4,7-dichloro-1H-indol-3-yl)prop-2-yn-1-ol, CYCLIN-DEPENDENT KINASE 2
Authors:Jhoti, H, Ludlow, R.F, O'Reilly, M, Saini, H.K, Tickle, I.J, Verdonk, M.
Deposit date:2015-11-27
Release date:2015-12-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Detection of Secondary Binding Sites in Proteins Using Fragment Screening.
Proc.Natl.Acad.Sci.USA, 112, 2015
1C6G
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BU of 1c6g by Molmil
T4 LYSOZYME MUTANT C54T/C97A/L99A IN THE PRESENCE OF 4 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
6QWL
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BU of 6qwl by Molmil
Influenza B virus (B/Panama/45) polymerase Hetermotrimer in complex with 3'5' cRNA promoter
Descriptor: 3' cRNA, 5' cRNA, Polymerase acidic protein, ...
Authors:Keown, J.R, Carrique, L, Fan, H, Fodor, E, Grimes, J.M.
Deposit date:2019-03-05
Release date:2019-09-04
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structures of influenza A virus RNA polymerase offer insight into viral genome replication.
Nature, 573, 2019
1C6Q
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BU of 1c6q by Molmil
T4 LYSOZYME MUTANT C54T/C97A IN THE PRESENCE OF 8 ATM KRYPTON
Descriptor: BETA-MERCAPTOETHANOL, CHLORIDE ION, KRYPTON, ...
Authors:Quillin, M.L, Matthews, B.W.
Deposit date:1999-12-21
Release date:2000-10-04
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Size versus polarizability in protein-ligand interactions: binding of noble gases within engineered cavities in phage T4 lysozyme.
J.Mol.Biol., 302, 2000
3D7F
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BU of 3d7f by Molmil
A high resolution crystal structure of human glutamate carboxypeptidase II (GCPII) in a complex with DCIT, a urea-based inhibitor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Lubkowski, J, Barinka, C.
Deposit date:2008-05-21
Release date:2008-12-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Interactions between Human Glutamate Carboxypeptidase II and Urea-Based Inhibitors: Structural Characterization
J.Med.Chem., 51, 2008
2WQG
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BU of 2wqg by Molmil
SAP domain from Tho1: L31W (fluorophore) mutant
Descriptor: PROTEIN THO1
Authors:Dodson, C.A, Ferguson, N, Rutherford, T.J, Johnson, C.M, Fersht, A.R.
Deposit date:2009-08-21
Release date:2010-02-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Engineering a Two-Helix Bundle Protein for Folding Studies.
Protein Eng.Des.Sel., 23, 2010
3CLI
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BU of 3cli by Molmil
Crystal Structure of Arabidopsis thaliana Allene Oxide Synthase (AOS, cytochrome P450 74A, CYP74A) at 1.80 A Resolution
Descriptor: Allene Oxide Synthase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, D.-S, Nioche, P, Raman, C.S.
Deposit date:2008-03-19
Release date:2008-08-19
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the evolutionary paths of oxylipin biosynthetic enzymes
Nature, 455, 2008
5L4K
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BU of 5l4k by Molmil
The human 26S proteasome lid
Descriptor: 26S proteasome complex subunit DSS1, 26S proteasome non-ATPase regulatory subunit 1, 26S proteasome non-ATPase regulatory subunit 11, ...
Authors:Schweitzer, A, Aufderheide, A, Rudack, T, Beck, F.
Deposit date:2016-05-25
Release date:2016-09-07
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structure of the human 26S proteasome at a resolution of 3.9 angstrom.
Proc.Natl.Acad.Sci.USA, 113, 2016
7JOT
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BU of 7jot by Molmil
Adeno-associated virus strain AAV7 capsid icosahedral structure
Descriptor: Capsid protein
Authors:Firlar, E, Yost, S.A, Mercer, A.C, Kaelber, J.T.
Deposit date:2020-08-07
Release date:2020-10-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Adeno-associated virus strain AAV7 capsid icosahedral structure
To Be Published
3CNR
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BU of 3cnr by Molmil
Crystal Structure of PilZ (XAC1133) from Xanthomonas axonopodis pv citri
Descriptor: Type IV fimbriae assembly protein
Authors:Guzzo, C.R, Farah, C.S.
Deposit date:2008-03-26
Release date:2009-03-31
Last modified:2017-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:PILZ protein structure and interactions with PILB and the FIMX EAL domain: implications for control of type IV pilus biogenesis.
J.Mol.Biol., 393, 2009
5KQY
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BU of 5kqy by Molmil
Protease E35D-DRV
Descriptor: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease E35D-DRV
Authors:Liu, Z, Poole, K.M, Mahon, B.P, McKenna, R, Fanucci, G.E.
Deposit date:2016-07-06
Release date:2016-09-21
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Effects of Hinge-region Natural Polymorphisms on Human Immunodeficiency Virus-Type 1 Protease Structure, Dynamics, and Drug Pressure Evolution.
J.Biol.Chem., 291, 2016
3COH
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BU of 3coh by Molmil
Crystal structure of Aurora-A in complex with a pentacyclic inhibitor
Descriptor: 8-ethyl-3,10,10-trimethyl-4,5,6,8,10,12-hexahydropyrazolo[4',3':6,7]cyclohepta[1,2-b]pyrrolo[2,3-f]indol-9(1H)-one, Serine/threonine-protein kinase 6
Authors:Wiesmann, C, Raswson, T.E, Cochran, A.G.
Deposit date:2008-03-28
Release date:2009-02-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A pentacyclic aurora kinase inhibitor (AKI-001) with high in vivo potency and oral bioavailability.
J.Med.Chem., 51, 2008
5L7H
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BU of 5l7h by Molmil
MCR IN COMPLEX WITH ligand
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, 3-methyl-5,8-dioxa-17lambda-thia-4,18-diazatetracyclo[18.2.2.1,.0]pentacosa-1(22),2(6),3,9,11,13(25),20,23-octaene-17,17-dione, Mineralocorticoid receptor, ...
Authors:Xue, Y, Aagaard, A, Backstrom, S, Edman, K.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
5L8J
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BU of 5l8j by Molmil
Aurora-A kinase domain in complex with vNAR-D01 S93R
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:Burgess, S.G, Bayliss, R.
Deposit date:2016-06-08
Release date:2016-07-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Allosteric inhibition of Aurora-A kinase by a synthetic vNAR domain.
Open Biology, 6, 2016
1JGK
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BU of 1jgk by Molmil
SOLUTION STRUCTURE OF CANDOXIN
Descriptor: CANDOXIN
Authors:Venkitakrishnan, R.P, Chary, K.V.R, Kini, M.R, Govil, G.
Deposit date:2001-06-25
Release date:2001-12-28
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:SOLUTION STRUCTURE OF CANDOXIN, A REVERSIBLE, POSTSYNAPTIC NEUROTOXIN PURIFIED FROM THE VENOM OF BUNGARUS CANDIDUS (MALAYAN KRAIT)
To be Published
1BNB
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BU of 1bnb by Molmil
SOLUTION STRUCTURE OF BOVINE NEUTROPHIL BETA-DEFENSIN 12: THE PEPTIDE FOLD OF THE BETA-DEFENSINS IS IDENTICAL TO THAT OF THE CLASSICAL DEFENSINS
Descriptor: BOVINE NEUTROPHIL BETA-DEFENSIN 12
Authors:Zimmermann, G.R, Legault, P, Selsted, M.E, Pardi, A.
Deposit date:1995-03-08
Release date:1995-10-15
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Solution structure of bovine neutrophil beta-defensin-12: the peptide fold of the beta-defensins is identical to that of the classical defensins.
Biochemistry, 34, 1995
6R92
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BU of 6r92 by Molmil
Cryo-EM structure of NCP-THF2(+1)-UV-DDB class B
Descriptor: DNA damage-binding protein 1,DNA damage-binding protein 1, DNA damage-binding protein 2, Histone H2A type 1-B/E, ...
Authors:Matsumoto, S, Cavadini, S, Bunker, R.D, Thoma, N.H.
Deposit date:2019-04-02
Release date:2019-06-12
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:DNA damage detection in nucleosomes involves DNA register shifting.
Nature, 571, 2019
1BTA
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BU of 1bta by Molmil
THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: BARSTAR
Authors:Lubienski, M.J, Bycroft, M, Freund, S.M.V, Fersht, A.R.
Deposit date:1994-05-09
Release date:1994-07-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Three-dimensional solution structure and 13C assignments of barstar using nuclear magnetic resonance spectroscopy.
Biochemistry, 33, 1994
1ZHF
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BU of 1zhf by Molmil
Crystal structure of selenomethionine substituted isoflavanone 4'-O-methyltransferase
Descriptor: Isoflavanone 4'-O-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Liu, C.-J, Deavours, B.E, Richard, S, Ferrer, J.-L, Dixon, R.A, Noel, J.P.
Deposit date:2005-04-25
Release date:2006-08-01
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for dual functionality of isoflavonoid O-methyltransferases in the evolution of plant defense responses.
Plant Cell, 18, 2006
5L7E
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BU of 5l7e by Molmil
MCR IN COMPLEX WITH ligand
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, ...
Authors:Edman, K, Aagaard, A, Backstrom, S, Xue, Y.
Deposit date:2016-06-03
Release date:2016-12-07
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure-Based Drug Design of Mineralocorticoid Receptor Antagonists to Explore Oxosteroid Receptor Selectivity.
ChemMedChem, 12, 2017
1W0J
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BU of 1w0j by Molmil
Beryllium fluoride inhibited bovine F1-ATPase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP SYNTHASE ALPHA CHAIN HEART ISOFORM, MITOCHONDRIAL PRECURSOR, ...
Authors:Kagawa, R, Montgomery, M.G, Braig, K, Walker, J.E, Leslie, A.G.W.
Deposit date:2004-06-08
Release date:2004-07-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structure of Bovine F1-ATPase Inhibited by Adp and Beryllium Fluoride
Embo J., 23, 2004

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数据于2024-10-09公开中

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