8F2Q
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4KQX
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![BU of 4kqx by Molmil](/molmil-images/mine/4kqx) | Mutant Slackia exigua KARI DDV in complex with NAD and an inhibitor | Descriptor: | HISTIDINE, Ketol-acid reductoisomerase, MAGNESIUM ION, ... | Authors: | Brinkmann-Chen, S, Flock, T, Cahn, J.K.B, Snow, C.D, Brustad, E.M, Mcintosh, J.A, Meinhold, P, Zhang, L, Arnold, F.H. | Deposit date: | 2013-05-15 | Release date: | 2013-06-26 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | General approach to reversing ketol-acid reductoisomerase cofactor dependence from NADPH to NADH. Proc.Natl.Acad.Sci.USA, 110, 2013
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4W7Z
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![BU of 4w7z by Molmil](/molmil-images/mine/4w7z) | Tetrameric BAP29 vDED without disulfide bonds | Descriptor: | ACETATE ION, B-cell receptor-associated protein 29, SULFATE ION | Authors: | Quistgaard, E.M. | Deposit date: | 2014-08-22 | Release date: | 2014-10-29 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A disulfide polymerized protein crystal. Chem.Commun.(Camb.), 50, 2014
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4UZ2
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8FUQ
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8FEZ
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8FTL
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![BU of 8ftl by Molmil](/molmil-images/mine/8ftl) | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 | Descriptor: | 3C-like proteinase nsp5, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide | Authors: | Lewandowski, E.M, Butler, S.G, Hu, Y, Tan, H, Wang, J, Chen, Y. | Deposit date: | 2023-01-12 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Crystal structure of the SARS-CoV-2 (COVID-19) main protease (Mpro) in complex with inhibitor Jun89-3-C1 To Be Published
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4BCJ
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![BU of 4bcj by Molmil](/molmil-images/mine/4bcj) | Structure of CDK9 in complex with cyclin T and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 2-[(3-hydroxyphenyl)amino]-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidine-5-carbonitrile, CYCLIN-DEPENDENT KINASE 9, CYCLIN-T1 | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-01-09 | Last modified: | 2019-05-15 | Method: | X-RAY DIFFRACTION (3.162 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4BCK
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![BU of 4bck by Molmil](/molmil-images/mine/4bck) | Structure of CDK2 in complex with cyclin A and a 2-amino-4-heteroaryl- pyrimidine inhibitor | Descriptor: | 3-[[5-cyano-4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]benzenesulfonamide, CYCLIN-A2, CYCLIN-DEPENDENT KINASE 2, ... | Authors: | Hole, A.J, Baumli, S, Wang, S, Endicott, J.A, Noble, M.E.M. | Deposit date: | 2012-10-02 | Release date: | 2013-03-06 | Method: | X-RAY DIFFRACTION (2.052 Å) | Cite: | Comparative Structural and Functional Studies of 4-(Thiazol- 5-Yl)-2-(Phenylamino)Pyrimidine-5-Carbonitrile Cdk9 Inhibitors Suggest the Basis for Isotype Selectivity. J.Med.Chem., 56, 2013
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4ASW
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![BU of 4asw by Molmil](/molmil-images/mine/4asw) | Structure of the complex between the N-terminal dimerisation domain of Sgt2 and the UBL domain of Get5 | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2, UBIQUITIN-LIKE PROTEIN MDY2 | Authors: | Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L. | Deposit date: | 2012-05-03 | Release date: | 2013-01-16 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins Proc.Natl.Acad.Sci.USA, 110, 2013
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4ASV
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![BU of 4asv by Molmil](/molmil-images/mine/4asv) | Solution structure of the N-terminal dimerisation domain of Sgt2 | Descriptor: | SMALL GLUTAMINE-RICH TETRATRICOPEPTIDE REPEAT-CONTAINING PROTEIN 2 | Authors: | Simon, A.C, Simpson, P.J, Goldstone, R.M, Krysztofinska, E.M, Murray, J.W, High, S, Isaacson, R.L. | Deposit date: | 2012-05-03 | Release date: | 2013-01-16 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structure of the Sgt2/Get5 Complex Provides Insights Into Get-Mediated Targeting of Tail-Anchored Membrane Proteins Proc.Natl.Acad.Sci.USA, 110, 2013
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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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4AUB
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1EHV
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1E5K
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![BU of 1e5k by Molmil](/molmil-images/mine/1e5k) | CRYSTAL STRUCTURE OF THE MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN MOBA (PROTEIN FA) FROM ESCHERICHIA COLI AT NEAR ATOMIC RESOLUTION | Descriptor: | CITRIC ACID, LITHIUM ION, MOLYBDOPTERIN-GUANINE DINUCLEOTIDE BIOSYNTHESIS PROTEIN A | Authors: | Stevenson, C.E.M, Sargent, F, Buchanan, G, Palmer, T, Lawson, D.M. | Deposit date: | 2000-07-27 | Release date: | 2000-11-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Crystal Structure of the Molybdenum Cofactor Biosynthesis Protein Moba from Escherichia Coli at Near Atomic Resolution Structure, 8, 2000
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1E91
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![BU of 1e91 by Molmil](/molmil-images/mine/1e91) | Structure of the complex of the Mad1-Sin3B interaction domains | Descriptor: | MAD PROTEIN (MAX DIMERIZER), PAIRED AMPHIPATHIC HELIX PROTEIN SIN3B | Authors: | Spronk, C.A.E.M, Tessari, M, Kaan, A.M, Jansen, J.F.A, Vermeulen, M, Stunnenberg, H.G, Vuister, G.W. | Deposit date: | 2000-10-04 | Release date: | 2000-11-20 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The MAD1-Sin3B Interaction Involves a Novel Helical Fold Nat.Struct.Biol., 7, 2000
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1E85
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![BU of 1e85 by Molmil](/molmil-images/mine/1e85) | Cytochrome c' from Alcaligenes xylosoxidans - reduced structure with NO bound to proximal side of heme | Descriptor: | CYTOCHROME C', HEME C, NITRIC OXIDE | Authors: | Lawson, D.M, Stevenson, C.E.M, Andrew, C.R, Eady, R.R. | Deposit date: | 2000-09-15 | Release date: | 2000-11-06 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Unprecedented Proximal Binding of Nitric Oxide to Heme: Implications for Guanylate Cyclase. Embo J., 19, 2000
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1QKP
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![BU of 1qkp by Molmil](/molmil-images/mine/1qkp) | HIGH RESOLUTION X-RAY STRUCTURE OF AN EARLY INTERMEDIATE IN THE BACTERIORHODOPSIN PHOTOCYCLE | Descriptor: | BACTERIORHODOPSIN, RETINAL | Authors: | Edman, K, Nollert, P, Royant, A, Belrhali, H, Pebay-Peyroula, E, Hajdu, J, Neutze, R, Landau, E.M. | Deposit date: | 1999-07-30 | Release date: | 1999-10-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-resolution X-ray structure of an early intermediate in the bacteriorhodopsin photocycle. Nature, 401, 1999
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6WQY
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![BU of 6wqy by Molmil](/molmil-images/mine/6wqy) | GH5-4 broad specificity endoglucanase from Bacteroides salanitronis | Descriptor: | CHLORIDE ION, Cellulase, MAGNESIUM ION | Authors: | Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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1RF3
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![BU of 1rf3 by Molmil](/molmil-images/mine/1rf3) | Structurally Distinct Recognition Motifs in Lymphotoxin-B Receptor and CD40 for TRAF-mediated Signaling | Descriptor: | 24-residue peptide from Lymphotoxin-B Receptor, TNF receptor associated factor 3 | Authors: | Li, C, Norris, P.S, Ni, C.Z, Havert, M.L, Chiong, E.M, Tran, B.R, Cabezas, E, Cheng, G, Reed, J.C, Satterthwait, A.C, Ware, C.F, Ely, K.R. | Deposit date: | 2003-11-07 | Release date: | 2004-07-06 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structurally distinct recognition motifs in lymphotoxin-beta receptor and CD40 for tumor necrosis factor receptor-associated factor (TRAF)-mediated signaling. J.Biol.Chem., 278, 2003
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2ARY
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![BU of 2ary by Molmil](/molmil-images/mine/2ary) | Catalytic domain of Human Calpain-1 | Descriptor: | BETA-MERCAPTOETHANOL, CALCIUM ION, Calpain-1 catalytic subunit | Authors: | Walker, J.R, Davis, T, Lunin, V, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2005-08-22 | Release date: | 2005-08-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The Crystal Structures of Human Calpains 1 and 9 Imply Diverse Mechanisms of Action and Auto-inhibition J.Mol.Biol., 366, 2007
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1RE5
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![BU of 1re5 by Molmil](/molmil-images/mine/1re5) | Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-carboxy-cis,cis-muconate cycloisomerase, CITRIC ACID | Authors: | Yang, J, Wang, Y, Woolridge, E.M, Petsko, G.A, Kozarich, J.W, Ringe, D. | Deposit date: | 2003-11-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of 3-Carboxy-cis,cis-muconate Lactonizing Enzyme from Pseudomonas putida, a Fumarase Class II Type Cycloisomerase: Enzyme Evolution in Parallel Pathways. Biochemistry, 43, 2004
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1RQM
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![BU of 1rqm by Molmil](/molmil-images/mine/1rqm) | SOLUTION STRUCTURE OF THE K18G/R82E ALICYCLOBACILLUS ACIDOCALDARIUS THIOREDOXIN MUTANT | Descriptor: | Thioredoxin | Authors: | Leone, M, Di Lello, P, Ohlenschlager, O, Pedone, E.M, Bartolucci, S, Rossi, M, Di Blasio, B, Pedone, C, Saviano, M, Isernia, C, Fattorusso, R. | Deposit date: | 2003-12-05 | Release date: | 2004-06-22 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | Solution Structure and Backbone Dynamics of the K18G/R82E Alicyclobacillus acidocaldarius Thioredoxin Mutant: A Molecular Analysis of Its Reduced Thermal Stability. Biochemistry, 43, 2004
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2B7D
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![BU of 2b7d by Molmil](/molmil-images/mine/2b7d) | Factor VIIa Inhibitors: Chemical Optimization, Preclinical Pharmacokinetics, Pharmacodynamics, and Efficacy in a Baboon Thrombosis Model | Descriptor: | (2R)-2-[5-(5-CARBAMIMIDOYL-1H-BENZOIMIDAZOL-2-YL)-6,2'-DIHYDROXY-5'-UREIDOMETHYL-BIPHENYL-3-YL]-SUCCINIC ACID, Coagulation factor VII, Tissue factor | Authors: | Young, W.B, Mordenti, J, Torkelson, S, Shrader, W.D, Kolesnikov, A, Rai, R, Liu, L, Hu, H, Leahy, E.M, Green, M.J, Sprengeler, P.A, Katz, B.A, Yu, C, Janc, J.W, Elrod, K.C, Marzec, U.M, Hanson, S.R. | Deposit date: | 2005-10-04 | Release date: | 2006-02-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Factor VIIa inhibitors: Chemical optimization, preclinical pharmacokinetics, pharmacodynamics, and efficacy in an arterial baboon thrombosis model. Bioorg.Med.Chem.Lett., 16, 2006
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6WPR
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