2YWJ
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8SK1
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![BU of 8sk1 by Molmil](/molmil-images/mine/8sk1) | Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine diphosphokinase, 5'-S-[(2R,4R)-1-{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}-2-carboxypiperidin-4-yl]-5'-thioadenosine | Authors: | Shaw, G.X, Tropea, J.E, Shi, G, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-18 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Bacillus anthracis HPPK in complex with bisubstrate inhibitor HP-73 To be published
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3HGN
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![BU of 3hgn by Molmil](/molmil-images/mine/3hgn) | Structure of porcine pancreatic elastase complexed with a potent peptidyl inhibitor FR130180 determined by neutron crystallography | Descriptor: | 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid, CALCIUM ION, Elastase-1, ... | Authors: | Tamada, T, Kinoshita, T, Kuroki, R, Tada, T. | Deposit date: | 2009-05-14 | Release date: | 2009-07-28 | Last modified: | 2023-11-01 | Method: | NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION | Cite: | Combined High-Resolution Neutron and X-ray Analysis of Inhibited Elastase Confirms the Active-Site Oxyanion Hole but Rules against a Low-Barrier Hydrogen Bond J.Am.Chem.Soc., 131, 2009
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8S3R
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![BU of 8s3r by Molmil](/molmil-images/mine/8s3r) | HUMAN PI3KDELTA IN COMPLEX WITH PYRIDAZINONE INHIBITOR 7 | Descriptor: | 5-[(1~{S})-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-cyclopentyl-2-(phenylmethyl)pyridazin-3-one, Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | Authors: | Pala, D, Bruno, P, Capelli, A.M, Biagetti, M. | Deposit date: | 2024-02-20 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Discovery and Optimization of Pyridazinones as PI3K delta Selective Inhibitors for Administration by Inhalation. J.Med.Chem., 2024
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5KJ6
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![BU of 5kj6 by Molmil](/molmil-images/mine/5kj6) | V197I Horse liver alcohol dehydrogenase complexed with NAD+ and pentafluorobenzyl alcohol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ... | Authors: | Plapp, B.V. | Deposit date: | 2016-06-17 | Release date: | 2016-07-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | Contribution of buried distal amino acid residues in horse liver alcohol dehydrogenase to structure and catalysis. Protein Sci., 27, 2018
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8SIF
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8RWW
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2YYN
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![BU of 2yyn by Molmil](/molmil-images/mine/2yyn) | Crystal structure of human bromodomain protein | Descriptor: | Transcription intermediary factor 1-alpha | Authors: | Kishishita, S, Uchikubo-Kamo, T, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2007-04-30 | Release date: | 2008-05-06 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of human bromodomain protein To be Published
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2YGS
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![BU of 2ygs by Molmil](/molmil-images/mine/2ygs) | CARD DOMAIN FROM APAF-1 | Descriptor: | APOPTOTIC PROTEASE ACTIVATING FACTOR 1 | Authors: | Shi, Y. | Deposit date: | 1999-05-08 | Release date: | 2000-04-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural basis of procaspase-9 recruitment by the apoptotic protease-activating factor 1. Nature, 399, 1999
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2G8Y
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![BU of 2g8y by Molmil](/molmil-images/mine/2g8y) | The structure of a putative malate/lactate dehydrogenase from E. coli. | Descriptor: | 1,2-ETHANEDIOL, Malate/L-lactate dehydrogenases, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Cuff, M.E, Skarina, T, Edwards, A, Savchenko, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2006-03-03 | Release date: | 2006-04-25 | Last modified: | 2022-04-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The structure of a putative malate/lactate dehydrogenase from E. coli. To be Published
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8SP4
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8RHS
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5DUL
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![BU of 5dul by Molmil](/molmil-images/mine/5dul) | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH | Descriptor: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Osipiuk, J, Mulligan, R, Stam, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2015-09-18 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | 1-deoxy-D-xylulose 5-phosphate reductoisomerase from Yersinia pestis in complex with NADPH . to be published
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2YZN
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2G9N
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![BU of 2g9n by Molmil](/molmil-images/mine/2g9n) | Structure of the DEAD domain of Human eukaryotic initiation factor 4A, eIF4A | Descriptor: | Eukaryotic initiation factor 4A-I | Authors: | Hogbom, M, Ogg, D, Arrowsmith, C, Berglund, H, Collins, R, Edwards, A, Ehn, M, Flodin, S, Flores, A, Graslund, S, Hallberg, B.M, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Uppenberg, J, Van Den Berg, S, Weigelt, J, Holmberg-Schiavone, L, Structural Genomics Consortium (SGC) | Deposit date: | 2006-03-07 | Release date: | 2006-03-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Comparative Structural Analysis of Human DEAD-Box RNA Helicases. Plos One, 5, 2010
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8RQG
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5DVR
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![BU of 5dvr by Molmil](/molmil-images/mine/5dvr) | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X | Descriptor: | 4-(3-chlorophenyl)-5-(1,5-naphthyridin-2-yl)-1,3-thiazol-2-amine, Calmodulin-domain protein kinase 1, UNKNOWN ATOM OR ION | Authors: | Jiang, D.Q, Tempel, W, Loppnau, P, Graslund, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Lovato, D.V, Osman, K.T, Structural Genomics Consortium (SGC) | Deposit date: | 2015-09-21 | Release date: | 2015-09-30 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of TgCDPK1 From Toxoplasma Gondii complexed with GW780159X to be published
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3URK
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![BU of 3urk by Molmil](/molmil-images/mine/3urk) | IspH in complex with propynyl diphosphate (1061) | Descriptor: | 4-hydroxy-3-methylbut-2-enyl diphosphate reductase, IRON/SULFUR CLUSTER, prop-2-yn-1-yl trihydrogen diphosphate | Authors: | Span, I, Wang, K, Wang, W, Zhang, Y, Bacher, A, Eisenreich, W, Schulz, C, Oldfield, E, Groll, M. | Deposit date: | 2011-11-22 | Release date: | 2012-09-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Discovery of acetylene hydratase activity of the iron-sulphur protein IspH. Nat Commun, 3, 2012
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2YPT
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![BU of 2ypt by Molmil](/molmil-images/mine/2ypt) | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | Descriptor: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | Deposit date: | 2012-11-01 | Release date: | 2012-12-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.8 Å) | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies. Science, 339, 2013
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5DW1
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![BU of 5dw1 by Molmil](/molmil-images/mine/5dw1) | X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution | Descriptor: | 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one, Bromodomain-containing protein 2, SODIUM ION | Authors: | White, A, Fontano, E, Suto, R.K. | Deposit date: | 2015-09-22 | Release date: | 2016-06-22 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | RVX-297- a novel BD2 selective inhibitor of BET bromodomains. Biochem.Biophys.Res.Commun., 477, 2016
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8SPG
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8SD5
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![BU of 8sd5 by Molmil](/molmil-images/mine/8sd5) | Crystal structure of HPPK from Methanocaldococcus jannaschii | Descriptor: | 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase, SULFATE ION | Authors: | Shaw, G.X, Needle, D, Stair, N.R, Cherry, S, Tropea, J.E, Waugh, D.S, Ji, X. | Deposit date: | 2023-04-06 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.802 Å) | Cite: | Crystal structure of HPPK from Methanocaldococcus jannaschii To be published
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2YH5
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![BU of 2yh5 by Molmil](/molmil-images/mine/2yh5) | Structure of the C-terminal domain of BamC | Descriptor: | DAPX PROTEIN, PHOSPHATE ION | Authors: | Zeth, K, Albrecht, R. | Deposit date: | 2011-04-27 | Release date: | 2011-05-25 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structural Basis of Outer Membrane Protein Biogenesis in Bacteria. J.Biol.Chem., 286, 2011
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2FXF
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![BU of 2fxf by Molmil](/molmil-images/mine/2fxf) | Human spermidine/spermine N1-acetyltransferase | Descriptor: | ACETATE ION, ACETYL COENZYME *A, CALCIUM ION, ... | Authors: | Min, J.R, Wu, H, Zeng, H, Loppnau, P, Sundstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | Deposit date: | 2006-02-05 | Release date: | 2006-02-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Crystal Structure of Human spermidine/spermine
N1-acetyltransferase To be Published
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8SLW
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![BU of 8slw by Molmil](/molmil-images/mine/8slw) | Cryo-EM structure of the rat TRPM5 channel in 2mM calcium, high-4 | Descriptor: | CALCIUM ION, Transient receptor potential cation channel subfamily M member 5 | Authors: | Karuppan, S, Schrag, L.G, Jara-Oseguera, A, Zubcevic, L. | Deposit date: | 2023-04-24 | Release date: | 2024-07-03 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Structural dynamics at cytosolic interprotomer interfaces control gating of a mammalian TRPM5 channel. Proc.Natl.Acad.Sci.USA, 121, 2024
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