1SXS
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![BU of 1sxs by Molmil](/molmil-images/mine/1sxs) | Reduced bovine superoxide dismutase at pH 5.0 complexed with thiocyanate | Descriptor: | CALCIUM ION, COPPER (II) ION, PROTEIN (CU-ZN SUPEROXIDE DISMUTASE), ... | Authors: | Ferraroni, M, Rypniewski, W.R, Bruni, B, Orioli, P, Mangani, S. | Deposit date: | 1998-09-24 | Release date: | 1998-09-30 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystallographic determination of reduced bovine superoxide dismutase at pH 5.0 and of anion binding to its active site J.Biol.Inorg.Chem., 3, 1998
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4B9D
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![BU of 4b9d by Molmil](/molmil-images/mine/4b9d) | Crystal Structure of Human NIMA-related Kinase 1 (NEK1) with inhibitor. | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, SERINE/THREONINE-PROTEIN KINASE NEK1, ... | Authors: | Elkins, J.M, Hanchuk, T.D.M, Lovato, D.V, Basei, F.L, Meirelles, G.V, Kobarg, J, Szklarz, M, Vollmar, M, Mahajan, P, Rellos, P, Zhang, Y, Krojer, T, Pike, A.C.W, Canning, P, von Delft, F, Raynor, J, Bountra, C, Arrowsmith, C, Edwards, A, Knapp, S. | Deposit date: | 2012-09-04 | Release date: | 2012-09-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | NEK1 kinase domain structure and its dynamic protein interactome after exposure to Cisplatin. Sci Rep, 7, 2017
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7AL2
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2X15
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![BU of 2x15 by Molmil](/molmil-images/mine/2x15) | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP and 1,3- bisphosphoglycerate | Descriptor: | 1,3-BISPHOSPHOGLYCERIC ACID, 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hounslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-12-21 | Release date: | 2011-02-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analoges To be Published
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5CR8
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![BU of 5cr8 by Molmil](/molmil-images/mine/5cr8) | Structure of the membrane-binding domain of pneumolysin | Descriptor: | Pneumolysin | Authors: | Marshall, J.E, Faraj, B.H.A, Gingras, A.R, Lonnen, R, Sheikh, M.A, El-Mezgueldi, M, Moody, P.C.E, Andrew, P.W, Wallis, R. | Deposit date: | 2015-07-22 | Release date: | 2015-09-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Crystal Structure of Pneumolysin at 2.0 angstrom Resolution Reveals the Molecular Packing of the Pre-pore Complex. Sci Rep, 5, 2015
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6VR8
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![BU of 6vr8 by Molmil](/molmil-images/mine/6vr8) | Structure of a pseudomurein peptide ligase type E from Methanothermus fervidus | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, Mur ligase middle domain protein, ... | Authors: | Carbone, V, Schofield, L.R, Sutherland-Smith, A.J, Ronimus, R.S, Subedi, B.P. | Deposit date: | 2020-02-06 | Release date: | 2021-08-11 | Last modified: | 2023-02-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural characterisation of methanogen pseudomurein cell wall peptide ligases homologous to bacterial MurE/F murein peptide ligases. Microbiology (Reading, Engl.), 168, 2022
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1N80
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![BU of 1n80 by Molmil](/molmil-images/mine/1n80) | Bacteriophage T4 baseplate structural protein gp8 | Descriptor: | CHLORIDE ION, baseplate structural protein gp8 | Authors: | Leiman, P.G, Shneider, M.M, Kostyuchenko, V.A, Chipman, P.R, Mesyanzhinov, V.V, Rossmann, M.G. | Deposit date: | 2002-11-18 | Release date: | 2003-06-10 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Structure and location of gene product 8 in the bacteriophage T4 baseplate J.Mol.Biol., 328, 2003
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4YAE
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![BU of 4yae by Molmil](/molmil-images/mine/4yae) | Crystal structure of LigL-apo form from Sphingobium sp. strain SYK-6 | Descriptor: | C alpha-dehydrogenase | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.602 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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4YAI
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![BU of 4yai by Molmil](/molmil-images/mine/4yai) | Crystal structure of LigL in complex with NADH and GGE from Sphingobium sp. strain SYK-6 | Descriptor: | (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C alpha-dehydrogenase, ... | Authors: | Pereira, J.H, McAndrew, R.P, Heins, R.A, Sale, K.L, Simmons, B.A, Adams, P.D. | Deposit date: | 2015-02-17 | Release date: | 2016-03-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural and Biochemical Characterization of the Early and Late Enzymes in the Lignin beta-Aryl Ether Cleavage Pathway from Sphingobium sp. SYK-6. J.Biol.Chem., 291, 2016
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4YAO
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![BU of 4yao by Molmil](/molmil-images/mine/4yao) | Reduced CYPOR mutant - G143del | Descriptor: | ADENOSINE-2'-MONOPHOSPHATE, FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Xia, C, Kim, J.J.P. | Deposit date: | 2015-02-17 | Release date: | 2016-03-02 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Mutants of Cytochrome P450 Reductase Lacking Either Gly-141 or Gly-143 Destabilize Its FMN Semiquinone. J.Biol.Chem., 291, 2016
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2WZC
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![BU of 2wzc by Molmil](/molmil-images/mine/2wzc) | The catalytically active fully closed conformation of human phosphoglycerate kinase in complex with ADP, 3PG and aluminium tetrafluoride | Descriptor: | 3-PHOSPHOGLYCERIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-11-27 | Release date: | 2010-04-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Transition State Analogue Structures of Human Phosphoglycerate Kinase Establish the Importance of Charge Balance in Catalysis. J.Am.Chem.Soc., 132, 2010
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6HLP
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![BU of 6hlp by Molmil](/molmil-images/mine/6hlp) | Crystal structure of the Neurokinin 1 receptor in complex with the small molecule antagonist Netupitant | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[3,5-bis(trifluoromethyl)phenyl]-~{N},2-dimethyl-~{N}-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide, CITRIC ACID, ... | Authors: | Schoppe, J, Ehrenmann, J, Klenk, C, Rucktooa, P, Schutz, M, Dore, A.S, Pluckthun, A. | Deposit date: | 2018-09-11 | Release date: | 2019-01-16 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structures of the human neurokinin 1 receptor in complex with clinically used antagonists. Nat Commun, 10, 2019
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7TZA
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![BU of 7tza by Molmil](/molmil-images/mine/7tza) | Structure of PQS Response Protein PqsE in complex with N-(4-(3-neopentylureido)phenyl)-1H-indazole-7-carboxamide | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide, ... | Authors: | Jeffrey, P.D, Taylor, I.R, Bassler, B.L. | Deposit date: | 2022-02-15 | Release date: | 2022-08-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The PqsE Active Site as a Target for Small Molecule Antimicrobial Agents against Pseudomonas aeruginosa. Biochemistry, 61, 2022
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8CSA
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6DC8
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![BU of 6dc8 by Molmil](/molmil-images/mine/6dc8) | |
7U6G
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5T3A
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![BU of 5t3a by Molmil](/molmil-images/mine/5t3a) | |
1A9N
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![BU of 1a9n by Molmil](/molmil-images/mine/1a9n) | |
4YMZ
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![BU of 4ymz by Molmil](/molmil-images/mine/4ymz) | DHAP bound Leptospira Interrogans Triosephosphate Isomerase (LiTIM) | Descriptor: | 1,2-ETHANEDIOL, 1,3-DIHYDROXYACETONEPHOSPHATE, SULFATE ION, ... | Authors: | Pareek, V, Balaram, P, Murthy, M.R.N. | Deposit date: | 2015-03-08 | Release date: | 2016-03-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Connecting Active-Site Loop Conformations and Catalysis in Triosephosphate Isomerase: Insights from a Rare Variation at Residue 96 in the Plasmodial Enzyme Chembiochem, 17, 2016
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4BIQ
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![BU of 4biq by Molmil](/molmil-images/mine/4biq) | Homology model of coxsackievirus A7 (CAV7) empty capsid proteins. | Descriptor: | VP1, VP2, VP3 | Authors: | Seitsonen, J.J.T, Shakeel, S, Susi, P, Pandurangan, A.P, Sinkovits, R.S, Hyvonen, H, Laurinmaki, P, Yla-Pelto, J, Topf, M, Hyypia, T, Butcher, S.J. | Deposit date: | 2013-04-12 | Release date: | 2013-10-02 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (6.09 Å) | Cite: | Combined Approaches to Flexible Fitting and Assessment in Virus Capsids Undergoing Conformational Change. J.Struct.Biol., 185, 2014
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2X14
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![BU of 2x14 by Molmil](/molmil-images/mine/2x14) | The catalytically active fully closed conformation of human phosphoglycerate kinase K219A mutant in complex with AMP-PCP and 3PG | Descriptor: | 3-PHOSPHOGLYCERIC ACID, MAGNESIUM ION, PHOSPHOGLYCERATE KINASE 1, ... | Authors: | Bowler, M.W, Cliff, M.J, Marston, J.P.M, Baxter, N.J, Hownslow, A.M.H, Varga, A.V, Szabo, J, Vas, M, Blackburn, G.M, Waltho, J.P. | Deposit date: | 2009-12-21 | Release date: | 2010-12-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Structure of Human Phosphoglycerate Kinase in its Fully Active Conformation in Complex with Ground State Analogues To be Published
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4YNE
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![BU of 4yne by Molmil](/molmil-images/mine/4yne) | (R)-2-Phenylpyrrolidine Substitute Imidazopyridazines: a New Class of Potent and Selective Pan-TRK Inhibitors | Descriptor: | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-(pyridin-2-yl)imidazo[1,2-b]pyridazine, GLYCEROL, High affinity nerve growth factor receptor, ... | Authors: | Kreusch, A, Rucker, P, Molteni, V, Loren, J. | Deposit date: | 2015-03-09 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.0229 Å) | Cite: | (R)-2-Phenylpyrrolidine Substituted Imidazopyridazines: A New Class of Potent and Selective Pan-TRK Inhibitors. Acs Med.Chem.Lett., 6, 2015
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2X7F
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![BU of 2x7f by Molmil](/molmil-images/mine/2x7f) | Crystal structure of the kinase domain of human Traf2- and Nck- interacting Kinase with Wee1Chk1 inhibitor | Descriptor: | 9-HYDROXY-4-PHENYLPYRROLO[3,4-C]CARBAZOLE-1,3(2H,6H)-DIONE, SODIUM ION, TRAF2 AND NCK-INTERACTING PROTEIN KINASE | Authors: | Vollmar, M, Alfano, I, Shrestha, B, Bray, J, Muniz, J.R.C, Roos, A, Filippakopoulos, P, Burgess-Brown, N, Ugochukwu, E, Gileadi, O, Phillips, C, Mahajan, P, Pike, A.C.W, Fedorov, O, Chaikuad, A, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S. | Deposit date: | 2010-02-26 | Release date: | 2010-07-14 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal Structure of the Kinase Domain of Human Traf2- and Nck-Interacting Kinase with Wee1Chk1 Inhibitor To be Published
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3HQP
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![BU of 3hqp by Molmil](/molmil-images/mine/3hqp) | Crystal structure of Leishmania mexicana pyruvate kinase (LmPYK) in complex with ATP, Oxalate and fructose 2,6 bisphosphate | Descriptor: | 2,6-di-O-phosphono-beta-D-fructofuranose, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... | Authors: | Morgan, H.P, Walkinshaw, M.D. | Deposit date: | 2009-06-08 | Release date: | 2010-02-16 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The allosteric mechanism of pryuvate kinase from Leishmania mexicana: a rock and lock model J.Biol.Chem., 285, 2010
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2X7L
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![BU of 2x7l by Molmil](/molmil-images/mine/2x7l) | Implications of the HIV-1 Rev dimer structure at 3.2A resolution for multimeric binding to the Rev response element | Descriptor: | FAB HEAVY CHAIN, FAB LIGHT CHAIN, PROTEIN REV | Authors: | DiMattia, M.A, Watts, N.R, Stahl, S.J, Rader, C, Wingfield, P.T, Stuart, D.I, Steven, A.C, Grimes, J.M. | Deposit date: | 2010-03-01 | Release date: | 2010-03-23 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.17 Å) | Cite: | Implications of the HIV-1 Rev Dimer Structure at 3. 2 A Resolution for Multimeric Binding to the Rev Response Element. Proc.Natl.Acad.Sci.USA, 107, 2010
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