6CJ1
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![BU of 6cj1 by Molmil](/molmil-images/mine/6cj1) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor JWG071 | Descriptor: | 1,2-ETHANEDIOL, 11-[(2R)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, 11-[(2S)-butan-2-yl]-2-({2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, ... | Authors: | Xu, X, Blacklow, S.C. | Deposit date: | 2018-02-25 | Release date: | 2018-08-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinones as Inhibitors of Kinases and Bromodomains. ACS Chem. Biol., 13, 2018
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5N0Y
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![BU of 5n0y by Molmil](/molmil-images/mine/5n0y) | hPAD4 crystal complex with AFM-30a | Descriptor: | CALCIUM ION, Protein-arginine deiminase type-4, SULFATE ION, ... | Authors: | Beaumont, E, Kerry, P, Thompson, P, Muth, A, Subramanian, V, Nagar, M, Srinath, H, Clancy, K, Parelkar, S. | Deposit date: | 2017-02-03 | Release date: | 2017-05-24 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Development of a Selective Inhibitor of Protein Arginine Deiminase 2. J. Med. Chem., 60, 2017
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1NRX
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![BU of 1nrx by Molmil](/molmil-images/mine/1nrx) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and NAD | Descriptor: | 3-dehydroquinate synthase, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-01-26 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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2AK3
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![BU of 2ak3 by Molmil](/molmil-images/mine/2ak3) | |
4TNN
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![BU of 4tnn by Molmil](/molmil-images/mine/4tnn) | Crystal structure of Escherichia coli protein YodA in complex with Ni - artifact of purification. | Descriptor: | Metal-binding lipocalin, NICKEL (II) ION, SULFATE ION | Authors: | Gasiorowska, O.A, Cymborowski, M.T, Handing, K.B, Shabalin, I.G, Zasadzinska, E, Niedzialkowska, E, Porebski, P.J, Minor, W. | Deposit date: | 2014-06-04 | Release date: | 2014-06-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.951 Å) | Cite: | Protein purification and crystallization artifacts: The tale usually not told. Protein Sci., 25, 2016
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2AGG
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![BU of 2agg by Molmil](/molmil-images/mine/2agg) | succinyl-AAPK-trypsin acyl-enzyme at 1.28 A resolution | Descriptor: | CALCIUM ION, Cationic trypsin, SULFATE ION, ... | Authors: | Radisky, E.S, Lee, J.M, Lu, C.J, Koshland Jr, D.E. | Deposit date: | 2005-07-26 | Release date: | 2006-05-16 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Insights into the serine protease mechanism from atomic resolution structures of trypsin reaction intermediates Proc.Natl.Acad.Sci.USA, 103, 2006
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5OFW
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![BU of 5ofw by Molmil](/molmil-images/mine/5ofw) | Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-Chloro-4-fluorobenzamide | Descriptor: | 3-chloranyl-4-fluoranyl-benzamide, D-3-phosphoglycerate dehydrogenase | Authors: | Unterlass, J.E, Basle, A, Blackburn, T.J, Tucker, J, Cano, C, Noble, M.E.M, Curtin, N.J. | Deposit date: | 2017-07-11 | Release date: | 2017-08-16 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Validating and enabling phosphoglycerate dehydrogenase (PHGDH) as a target for fragment-based drug discovery in PHGDH-amplified breast cancer. Oncotarget, 9, 2018
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1NUA
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![BU of 1nua by Molmil](/molmil-images/mine/1nua) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, CHLORIDE ION, ZINC ION | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-01-31 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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1UVK
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![BU of 1uvk by Molmil](/molmil-images/mine/1uvk) | The structural basis for RNA specificity and Ca2 inhibition of an RNA-dependent RNA polymerase phi6p2 dead-end complex | Descriptor: | GUANOSINE-5'-MONOPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Salgado, P.S, Makeyev, E.V, Butcher, S, Bamford, D, Stuart, D.I, Grimes, J.M. | Deposit date: | 2004-01-21 | Release date: | 2004-02-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | The structural basis for RNA specificity and Ca2+ inhibition of an RNA-dependent RNA polymerase. Structure, 12, 2004
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8KHO
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![BU of 8kho by Molmil](/molmil-images/mine/8kho) | Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two Cobalt ions and Methionine | Descriptor: | COBALT (II) ION, METHIONINE, Methionine aminopeptidase 1D, ... | Authors: | Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S. | Deposit date: | 2023-08-22 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D. Sci Rep, 13, 2023
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1NVA
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![BU of 1nva by Molmil](/molmil-images/mine/1nva) | Crystal structure of 3-dehydroquinate synthase (DHQS) in complex with ZN2+ and ADP | Descriptor: | 3-DEHYDROQUINATE SYNTHASE, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Nichols, C.E, Ren, J, Lamb, H.K, Hawkins, A.R, Stammers, D.K. | Deposit date: | 2003-02-03 | Release date: | 2003-03-18 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Ligand-induced Conformational Changes and a Mechanism for Domain Closure in Aspergillus nidulans Dehydroquinate Synthase J.MOL.BIOL., 327, 2003
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2AQT
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![BU of 2aqt by Molmil](/molmil-images/mine/2aqt) | CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant | Descriptor: | COPPER (I) ION, COPPER (II) ION, SULFATE ION, ... | Authors: | DiDonato, M, Kassmann, C.J, Bruns, C.K, Cabelli, D.E, Cao, Z, Tabatabai, L.B, Kroll, J.S, Getzoff, E.D. | Deposit date: | 2005-08-18 | Release date: | 2006-10-31 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | CU/ZN superoxide dismutase from neisseria meningitidis K91Q, K94Q double mutant To be Published
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2WS6
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![BU of 2ws6 by Molmil](/molmil-images/mine/2ws6) | Semi-synthetic analogue of human insulin NMeTyrB26-insulin in hexamer form | Descriptor: | CHLORIDE ION, GLYCEROL, INSULIN A CHAIN, ... | Authors: | Brzozowski, A.M, Jiracek, J, Zakova, L, Antolikova, E, Watson, C.J, Turkenburg, J.P, Dodson, G.G. | Deposit date: | 2009-09-03 | Release date: | 2010-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Implications for the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues. Proc.Natl.Acad.Sci.USA, 107, 2010
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2WSR
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![BU of 2wsr by Molmil](/molmil-images/mine/2wsr) | MONOTIM MUTANT RMM0-1, MONOMERIC FORM. | Descriptor: | AZIDE ION, SULFATE ION, TRIOSE PHOSPHATE ISOMERASE, ... | Authors: | Rudino-Pinera, E, Rojas-Trejo, S.P, Arreola, R, Saab-Rincon, G, Soberon, X, Horjales, E. | Deposit date: | 2009-09-08 | Release date: | 2009-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Space Group Transition Driven by Temperature and Related to Monomer-Dimer Transition in Solution: The Case of Monomeric Tim of Trypanosoma Brucei Brucei To be Published
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8KHN
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![BU of 8khn by Molmil](/molmil-images/mine/8khn) | Crystal structure of human methionine aminopeptidase 12 (MAP12) in complex with two cobalt ions | Descriptor: | COBALT (II) ION, Methionine aminopeptidase 1D, mitochondrial, ... | Authors: | Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S. | Deposit date: | 2023-08-22 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D. Sci Rep, 13, 2023
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2O7F
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![BU of 2o7f by Molmil](/molmil-images/mine/2o7f) | Tyrosine ammonia-lyase from Rhodobacter sphaeroides (His89Phe variant), complexed with coumaric acid | Descriptor: | 4'-HYDROXYCINNAMIC ACID, Putative histidine ammonia-lyase | Authors: | Louie, G.V, Bowman, M.E, Moffitt, M.C, Baiga, T.J, Moore, B.S, Noel, J.P. | Deposit date: | 2006-12-11 | Release date: | 2007-01-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural determinants and modulation of substrate specificity in phenylalanine-tyrosine ammonia-lyases. Chem.Biol., 13, 2006
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8KHM
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![BU of 8khm by Molmil](/molmil-images/mine/8khm) | Crystal structure of human methionine aminopeptidase 12 (MAP12) in the unbound form | Descriptor: | GLYCEROL, Methionine aminopeptidase 1D, mitochondrial, ... | Authors: | Lee, Y, Lee, E, Hahn, H, Kim, H, Heo, Y, Jang, D.M, Kim, H.J, Kim, H.S. | Deposit date: | 2023-08-22 | Release date: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.39 Å) | Cite: | Structural insights into N-terminal methionine cleavage by the human mitochondrial methionine aminopeptidase, MetAP1D. Sci Rep, 13, 2023
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2WP8
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![BU of 2wp8 by Molmil](/molmil-images/mine/2wp8) | yeast rrp44 nuclease | Descriptor: | CHLORIDE ION, EXOSOME COMPLEX COMPONENT RRP45, EXOSOME COMPLEX COMPONENT SKI6, ... | Authors: | Basquin, J, Bonneau, F, Ebert, J, Lorentzen, E, Conti, E. | Deposit date: | 2009-08-03 | Release date: | 2009-11-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The Yeast Exosome Functions as a Macromolecular Cage to Channel RNA Substrates for Degradation. Cell(Cambridge,Mass.), 139, 2009
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4NPK
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![BU of 4npk by Molmil](/molmil-images/mine/4npk) | Extended-Synaptotagmin 2, C2A- and C2B-domains, calcium bound | Descriptor: | CALCIUM ION, Extended synaptotagmin-2 | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2013-11-21 | Release date: | 2014-01-29 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.552 Å) | Cite: | Structure and ca(2+)-binding properties of the tandem c2 domains of e-syt2. Structure, 22, 2014
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5YU6
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![BU of 5yu6 by Molmil](/molmil-images/mine/5yu6) | CRYSTAL STRUCTURE OF EXPORTIN-5:RANGTP COMPLEX | Descriptor: | 13-mer peptide, Exportin-5, GTP-binding nuclear protein Ran, ... | Authors: | Yamazawa, R, Jiko, C, Lee, S.J, Yamashita, E. | Deposit date: | 2017-11-20 | Release date: | 2018-08-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.997 Å) | Cite: | Structural Basis for Selective Binding of Export Cargoes by Exportin-5 Structure, 26, 2018
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1GID
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![BU of 1gid by Molmil](/molmil-images/mine/1gid) | CRYSTAL STRUCTURE OF A GROUP I RIBOZYME DOMAIN: PRINCIPLES OF RNA PACKING | Descriptor: | COBALT HEXAMMINE(III), MAGNESIUM ION, P4-P6 RNA RIBOZYME DOMAIN | Authors: | Cate, J.H, Gooding, A.R, Podell, E, Zhou, K, Golden, B.L, Kundrot, C.E, Cech, T.R, Doudna, J.A. | Deposit date: | 1996-08-22 | Release date: | 1996-12-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of a group I ribozyme domain: principles of RNA packing. Science, 273, 1996
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4NKW
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1GLM
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![BU of 1glm by Molmil](/molmil-images/mine/1glm) | REFINED CRYSTAL STRUCTURES OF GLUCOAMYLASE FROM ASPERGILLUS AWAMORI VAR. X100 | Descriptor: | GLUCOAMYLASE-471, alpha-D-mannopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Aleshin, A.E, Hoffman, C, Firsov, L.M, Honzatko, R.B. | Deposit date: | 1994-04-25 | Release date: | 1994-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Refined crystal structures of glucoamylase from Aspergillus awamori var. X100. J.Mol.Biol., 238, 1994
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1GM7
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![BU of 1gm7 by Molmil](/molmil-images/mine/1gm7) | Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights into the catalytic mechanism | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, PENICILLIN G, ... | Authors: | McVey, C.E, Walsh, M.A, Dodson, G.G, Wilson, K.S, Brannigan, J.A. | Deposit date: | 2001-09-11 | Release date: | 2001-11-28 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Crystal Structures of Penicillin Acylase Enzyme- Substrate Complexes: Structural Insights Into the Catalytic Mechanism J.Mol.Biol., 313, 2001
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2X89
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![BU of 2x89 by Molmil](/molmil-images/mine/2x89) | Structure of the Beta2_microglobulin involved in amyloidogenesis | Descriptor: | ANTIBODY, BETA-2-MICROGLOBULIN | Authors: | Domanska, K, Srinivasan, V, Vanderhaegen, S, Pardon, E, Marquez, J.A, Bellotti, V, Wyns, L, Steyaert, J. | Deposit date: | 2010-03-07 | Release date: | 2011-01-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Atomic Structure of a Nanobody-Trapped Domain-Swapped Dimer of an Amyloidogenic {Beta}2-Microglobulin Variant. Proc.Natl.Acad.Sci.USA, 108, 2011
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