8C8S
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![BU of 8c8s by Molmil](/molmil-images/mine/8c8s) | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). | Descriptor: | (2~{R})-3-[6-chloranyl-2-(prop-2-enylamino)quinazolin-4-yl]-2-methyl-~{N}-oxidanyl-propanamide, DNA cross-link repair 1A protein, ZINC ION | Authors: | Yosaatmadja, Y, Newman, J.A, Baddock, H.T, Bielinski, M, von Delft, F, Bountra, C, McHugh, P.J, Schofield, C.J, Gileadi, O. | Deposit date: | 2023-01-20 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of human DNA cross-link repair 1A in complex with hydroxamic acid inhibitor (compound 21). To Be Published
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1E6W
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1EKA
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![BU of 1eka by Molmil](/molmil-images/mine/1eka) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*AP*GP*UP*GP*CP*UP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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1E62
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![BU of 1e62 by Molmil](/molmil-images/mine/1e62) | Ferredoxin:NADP+ reductase mutant with Lys 75 replaced by Arg (K75R) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C. | Deposit date: | 2000-08-07 | Release date: | 2001-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners. Proteins, 59, 2005
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1E9H
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![BU of 1e9h by Molmil](/molmil-images/mine/1e9h) | Thr 160 phosphorylated CDK2 - Human cyclin A3 complex with the inhibitor indirubin-5-sulphonate bound | Descriptor: | 2',3-DIOXO-1,1',2',3-TETRAHYDRO-2,3'-BIINDOLE-5'-SULFONIC ACID, CELL DIVISION PROTEIN KINASE 2, CYCLIN A3 | Authors: | Davies, T.G, Tunnah, P, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2000-10-16 | Release date: | 2001-10-11 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Inhibitor Binding to Active and Inactive Cdk2: The Crystal Structure of Cdk2-Cyclin A/Indirubin-5-Sulphonate Structure, 9, 2001
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1EF8
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![BU of 1ef8 by Molmil](/molmil-images/mine/1ef8) | CRYSTAL STRUCTURE OF METHYLMALONYL COA DECARBOXYLASE | Descriptor: | METHYLMALONYL COA DECARBOXYLASE, NICKEL (II) ION | Authors: | Benning, M.M, Haller, T, Gerlt, J.A, Holden, H.M. | Deposit date: | 2000-02-07 | Release date: | 2000-05-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | New reactions in the crotonase superfamily: structure of methylmalonyl CoA decarboxylase from Escherichia coli. Biochemistry, 39, 2000
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1EU4
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![BU of 1eu4 by Molmil](/molmil-images/mine/1eu4) | CRYSTAL STRUCTURE OF THE SUPERANTIGEN SPE-H (ZINC BOUND) FROM STREPTOCOCCUS PYOGENES | Descriptor: | SUPERANTIGEN SPE-H, ZINC ION | Authors: | Arcus, V.L, Proft, T, Sigrell, J.A, Baker, H.M, Fraser, J.D, Baker, E.N. | Deposit date: | 2000-04-13 | Release date: | 2000-04-26 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Conservation and variation in superantigen structure and activity highlighted by the three-dimensional structures of two new superantigens from Streptococcus pyogenes. J.Mol.Biol., 299, 2000
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1EPS
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![BU of 1eps by Molmil](/molmil-images/mine/1eps) | STRUCTURE AND TOPOLOGICAL SYMMETRY OF THE GLYPHOSPHATE 5-ENOL-PYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE: A DISTINCTIVE PROTEIN FOLD | Descriptor: | 5-ENOL-PYRUVYL-3-PHOSPHATE SYNTHASE | Authors: | Stallings, W.C, Abdel-Meguid, S.S, Lim, L.W, Shieh, H.-S, Dayringer, H.E, Leimgruber, N.K, Stegeman, R.A, Anderson, K.S, Sikorski, J.A, Padgette, S.R, Kishore, G.M. | Deposit date: | 1991-04-05 | Release date: | 1993-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structure and topological symmetry of the glyphosate target 5-enolpyruvylshikimate-3-phosphate synthase: a distinctive protein fold. Proc.Natl.Acad.Sci.USA, 88, 1991
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1E63
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![BU of 1e63 by Molmil](/molmil-images/mine/1e63) | Ferredoxin:NADP+ Reductase Mutant with LYS 75 Replaced by SER (K75S) | Descriptor: | FERREDOXIN-NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION | Authors: | Hermoso, J.A, Mayoral, T, Medina, M, Gomez-Moreno, C. | Deposit date: | 2000-08-07 | Release date: | 2001-05-25 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural Analysis of Interactions for Complex Formation between Ferredoxin-Nadp+ Reductase and its Protein Partners. Proteins, 59, 2005
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1EH7
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1EKD
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![BU of 1ekd by Molmil](/molmil-images/mine/1ekd) | NMR AND MOLECULAR MODELING REVEAL THAT DIFFERENT HYDROGEN BONDING PATTERNS ARE POSSIBLE FOR GU PAIRS: ONE HYDROGEN BOND FOR EACH GU PAIR IN R(GGCGUGCC)2 AND TWO FOR EACH GU PAIR IN R(GAGUGCUC)2 | Descriptor: | RNA (5'-R(*GP*GP*CP*GP*UP*GP*CP*C)-3') | Authors: | Chen, X, McDowell, J.A, Kierzek, R, Krugh, T.R, Turner, D.H. | Deposit date: | 2000-03-07 | Release date: | 2000-11-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Nuclear magnetic resonance spectroscopy and molecular modeling reveal that different hydrogen bonding patterns are possible for G.U pairs: one hydrogen bond for each G.U pair in r(GGCGUGCC)(2) and two for each G.U pair in r(GAGUGCUC)(2). Biochemistry, 39, 2000
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1EKX
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![BU of 1ekx by Molmil](/molmil-images/mine/1ekx) | THE ISOLATED, UNREGULATED CATALYTIC TRIMER OF ASPARTATE TRANSCARBAMOYLASE COMPLEXED WITH BISUBSTRATE ANALOG PALA (N-(PHOSPHONACETYL)-L-ASPARTATE) | Descriptor: | ASPARTATE TRANSCARBAMOYLASE, CALCIUM ION, N-(PHOSPHONACETYL)-L-ASPARTIC ACID | Authors: | Endrizzi, J.A, Beernink, P.T, Alber, T, Schachman, H.K. | Deposit date: | 2000-03-09 | Release date: | 2000-05-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Binding of bisubstrate analog promotes large structural changes in the unregulated catalytic trimer of aspartate transcarbamoylase: implications for allosteric regulation induced cell migration. Proc.Natl.Acad.Sci.USA, 97, 2000
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1E80
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![BU of 1e80 by Molmil](/molmil-images/mine/1e80) | Endothiapepsin complex with renin inhibitor MERCK-KGAA-EMD56133 | Descriptor: | 4-amino-N-{(1R,8R,9R,13R)-16-(4-amino-2-methylpyrimidin-5-yl)-1-benzyl-8-(cyclohexylmethyl)-9-hydroxy-13-[(1S)-1-methylpropyl]-2,6,11,14-tetraoxo-3,7,12,15-tetraazahexadec-1-yl}piperidine-1-carboxamide, ENDOTHIAPEPSIN | Authors: | Read, J.A, Cooper, J.B, Toldo, L, Rippmann, F, Raddatz, P. | Deposit date: | 2000-09-15 | Release date: | 2000-09-26 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Refinement of Four Endothiapepsin Inhibitor Complexes. Crystallographic Studies of Cytochrome Ch from Methylobacterium Extorquens and Inhibitor Complexes of Aspartic Proteinases. Ph D Thesis, 1999
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3CPW
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![BU of 3cpw by Molmil](/molmil-images/mine/3cpw) | The structure of the antibiotic LINEZOLID bound to the large ribosomal subunit of HALOARCULA MARISMORTUI | Descriptor: | 23S RIBOSOMAL RNA, 5'-R(*CP*CP*AP*(PHE)*(ACA))-3', 50S ribosomal protein L10E, ... | Authors: | Ippolito, J.A, Kanyo, Z.K, Wang, D, Franceschi, F.J, Moore, P.B, Steitz, T.A, Duffy, E.M. | Deposit date: | 2008-04-01 | Release date: | 2008-07-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal Structure of the Oxazolidinone Antibiotic
Linezolid Bound to the 50S Ribosomal Subunit J.Med.Chem., 51, 2008
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3CRW
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![BU of 3crw by Molmil](/molmil-images/mine/3crw) | XPD_APO | Descriptor: | HEXACYANOFERRATE(3-), XPD/Rad3 related DNA helicase | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | Deposit date: | 2008-04-07 | Release date: | 2008-06-10 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (4 Å) | Cite: | XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations. Cell(Cambridge,Mass.), 133, 2008
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3CTW
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3D4M
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![BU of 3d4m by Molmil](/molmil-images/mine/3d4m) | Glutaredoxin 2 oxidized structure | Descriptor: | Glutaredoxin-2, mitochondrial | Authors: | Discola, K.F, de Oliveira, M.A, Barcena, J.A, Porras, P, Guimaraes, B.G, Netto, L.E.S. | Deposit date: | 2008-05-14 | Release date: | 2008-10-28 | Last modified: | 2017-10-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Structural aspects of the distinct biochemical properties of glutaredoxin 1 and glutaredoxin 2 from Saccharomyces cerevisiae. J.Mol.Biol., 385, 2009
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3CRV
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![BU of 3crv by Molmil](/molmil-images/mine/3crv) | XPD_Helicase | Descriptor: | CITRATE ANION, GLYCEROL, IRON/SULFUR CLUSTER, ... | Authors: | Fan, L, Arvai, A.S, Tainer, J.A. | Deposit date: | 2008-04-07 | Release date: | 2008-06-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | XPD helicase structures and activities: insights into the cancer and aging phenotypes from XPD mutations. Cell(Cambridge,Mass.), 133, 2008
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3CQP
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![BU of 3cqp by Molmil](/molmil-images/mine/3cqp) | Human SOD1 G85R Variant, Structure I | Descriptor: | COPPER (II) ION, MALONATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Cao, X, Antonyuk, S, Seetharaman, S.V, Whitson, L.J, Taylor, A.B, Holloway, S.P, Strange, R.W, Doucette, P.A, Valentine, J.S, Tiwari, A, Hayward, L.J, Padua, S, Cohlberg, J.A, Hasnain, S.S, Hart, P.J. | Deposit date: | 2008-04-03 | Release date: | 2008-04-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structures of the G85R Variant of SOD1 in Familial Amyotrophic Lateral Sclerosis. J.Biol.Chem., 283, 2008
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3CTL
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![BU of 3ctl by Molmil](/molmil-images/mine/3ctl) | Crystal structure of D-Allulose 6-Phosphate 3-Epimerase from Escherichia coli K12 complexed with D-glucitol 6-phosphate and magnesium | Descriptor: | D-SORBITOL-6-PHOSPHATE, D-allulose-6-phosphate 3-epimerase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Chan, K.K, Gerlt, J.A, Almo, S.C. | Deposit date: | 2008-04-14 | Release date: | 2009-02-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis for substrate specificity in phosphate binding (beta/alpha)8-barrels: D-allulose 6-phosphate 3-epimerase from Escherichia coli K-12. Biochemistry, 47, 2008
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3CXC
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![BU of 3cxc by Molmil](/molmil-images/mine/3cxc) | The structure of an enhanced oxazolidinone inhibitor bound to the 50S ribosomal subunit of H. marismortui | Descriptor: | (3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide, 23S RIBOSOMAL RNA, 5'-R(*CP*CP*A)-3', ... | Authors: | Ippolito, J.A, Wang, D, Kanyo, Z.F, Duffy, E.M. | Deposit date: | 2008-04-24 | Release date: | 2009-04-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Design at the atomic level: design of biaryloxazolidinones as potent orally active antibiotics. Bioorg.Med.Chem.Lett., 18, 2008
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3CKE
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![BU of 3cke by Molmil](/molmil-images/mine/3cke) | Crystal structure of aristolochene synthase in complex with 12,13-difluorofarnesyl diphosphate | Descriptor: | (2E,6E)-12-fluoro-11-(fluoromethyl)-3,7-dimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, BETA-MERCAPTOETHANOL, ... | Authors: | Shishova, E.Y, Yu, F, Miller, D.J, Faraldos, J.A, Zhao, Y, Coates, R.M, Allemann, R.K, Cane, D.E, Christianson, D.W. | Deposit date: | 2008-03-14 | Release date: | 2008-04-01 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray Crystallographic Studies of Substrate Binding to Aristolochene Synthase Suggest a Metal Ion Binding Sequence for Catalysis. J.Biol.Chem., 283, 2008
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3CMH
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![BU of 3cmh by Molmil](/molmil-images/mine/3cmh) | SYNTHETIC LINEAR TRUNCATED ENDOTHELIN-1 AGONIST | Descriptor: | PROTEIN (ENDOTHELIN-1) | Authors: | Hewage, C.M, Jiang, L, Parkinson, J.A, Ramage, R, Sadler, I.H. | Deposit date: | 1998-09-03 | Release date: | 1999-09-29 | Last modified: | 2023-12-27 | Method: | SOLUTION NMR | Cite: | Solution structure of a novel ETB receptor selective agonist ET1-21 [Cys(Acm)1,15, Aib3,11, Leu7] by nuclear magnetic resonance spectroscopy and molecular modelling. J.Pept.Res., 53, 1999
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3D0O
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3D4P
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![BU of 3d4p by Molmil](/molmil-images/mine/3d4p) | |