6JJ1
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![BU of 6jj1 by Molmil](/molmil-images/mine/6jj1) | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Peptidyl-tRNA hydrolase | Authors: | Iqbal, N, Sharma, P, Chaudhary, A, Sharma, S, Singh, T.P. | Deposit date: | 2019-02-24 | Release date: | 2019-03-13 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (0.97 Å) | Cite: | Crystal structure of peptidyl-tRNA hydrolase from Acinetobacter baumannii at 0.97 A resolution with disordered five N-terminal residues To Be Published
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3ZXN
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![BU of 3zxn by Molmil](/molmil-images/mine/3zxn) | Moorella thermoacetica RsbS S58E | Descriptor: | ANTI-SIGMA-FACTOR ANTAGONIST (STAS) DOMAIN PROTEIN, THIOCYANATE ION | Authors: | Quin, M.B, Berrisford, J.M, Newman, J.A, Basle, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2011-08-12 | Release date: | 2012-02-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Bacterial Stressosome: A Modular System that Has Been Adapted to Control Secondary Messenger Signaling. Structure, 20, 2012
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6HCS
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6HCY
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![BU of 6hcy by Molmil](/molmil-images/mine/6hcy) | human STEAP4 bound to NADP, FAD, heme and Fe(III)-NTA. | Descriptor: | (2R)-3-(phosphonooxy)propane-1,2-diyl dihexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Oosterheert, W, van Bezouwen, L.S, Rodenburg, R.N.P, Forster, F, Mattevi, A, Gros, P. | Deposit date: | 2018-08-17 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM structures of human STEAP4 reveal mechanism of iron(III) reduction. Nat Commun, 9, 2018
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1OAO
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![BU of 1oao by Molmil](/molmil-images/mine/1oao) | NiZn[Fe4S4] and NiNi[Fe4S4] clusters in closed and open alpha subunits of acetyl-CoA synthase/carbon monoxide dehydrogenase | Descriptor: | ACETATE ION, BICARBONATE ION, CARBON MONOXIDE DEHYDROGENASE/ACETYL-COA SYNTHASE SUBUNIT ALPHA, ... | Authors: | Darnault, C, Volbeda, A, Kim, E.J, Legrand, P, Vernede, X, Lindahl, P.A, Fontecilla-Camps, J.C. | Deposit date: | 2003-01-20 | Release date: | 2003-04-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ni-Zn-[Fe4-S4] and Ni-Ni-[Fe4-S4] Clusters in Closed and Open Alpha Subunits of Acetyl-Coa Synthase/Carbon Monoxide Dehydrogenase Nat.Struct.Biol., 10, 2003
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8CE9
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![BU of 8ce9 by Molmil](/molmil-images/mine/8ce9) | Crystal structure of human Cd11b I domain in C121 space group | Descriptor: | 1,2-ETHANEDIOL, Integrin alpha-M, SULFATE ION | Authors: | Koekemoer, L, Williams, E, Ni, X, Gao, Q, Coker, J, MacLean, E.M, Wright, N.D, Marsden, B, Von Delft, F, Schwenzer, A, Midwood, K. | Deposit date: | 2023-02-01 | Release date: | 2023-03-22 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Crystal structure of human Cd11b I domain in C121 space group To Be Published
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1CXU
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![BU of 1cxu by Molmil](/molmil-images/mine/1cxu) | 1.42A RESOLUTION ASV INTEGRASE CORE DOMAIN FROM CITRATE | Descriptor: | CITRIC ACID, GLYCEROL, PROTEIN (AVIAN SARCOMA VIRUS INTEGRASE) | Authors: | Lubkowski, J, Dauter, Z, Yang, F, Alexandratos, J, Wlodawer, A. | Deposit date: | 1999-08-30 | Release date: | 1999-09-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Atomic resolution structures of the core domain of avian sarcoma virus integrase and its D64N mutant. Biochemistry, 38, 1999
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3ZWJ
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![BU of 3zwj by Molmil](/molmil-images/mine/3zwj) | CRYSTAL STRUCTURE OF THE PORE-FORMING TOXIN FRAC FROM ACTINIA FRAGACEA (Form 3) | Descriptor: | FRAGACEATOXIN C | Authors: | Mechaly, A.E, Bellomioa, A, Morantea, K, Gonzalez-Manas, J.M, Guerin, D.M.A. | Deposit date: | 2011-08-01 | Release date: | 2012-07-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Pores of the Toxin Frac Assemble Into 2D Hexagonal Clusters in Both Crystal Structures and Model Membranes. J.Struct.Biol., 180, 2012
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6HNM
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![BU of 6hnm by Molmil](/molmil-images/mine/6hnm) | Crystal structure of IdmH 96-104 loop truncation variant | Descriptor: | putative polyketide cyclase IdmH | Authors: | Drulyte, I, Obajdin, J, Trinh, C, Hemsworth, G.R, Berry, A. | Deposit date: | 2018-09-16 | Release date: | 2019-11-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the putative cyclase IdmH from the indanomycin nonribosomal peptide synthase/polyketide synthase. Iucrj, 6, 2019
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6HNU
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![BU of 6hnu by Molmil](/molmil-images/mine/6hnu) | Crystal structure of the aminotransferase Aro8 from C. Albicans with ligands | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Aromatic amino acid aminotransferase I, ... | Authors: | Kiliszek, A, Rzad, K, Rypniewski, W, Milewski, S, Gabriel, I. | Deposit date: | 2018-09-17 | Release date: | 2019-02-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structures of aminotransferases Aro8 and Aro9 from Candida albicans and structural insights into their properties. J.Struct.Biol., 205, 2019
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6HOO
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![BU of 6hoo by Molmil](/molmil-images/mine/6hoo) | Crystal Structure of Rationally Designed OXA-48loop18 beta-lactamase | Descriptor: | Beta-lactamase,OXA-48loop18,Beta-lactamase, FLUORIDE ION, GLYCEROL, ... | Authors: | Zavala, A, Retailleau, P, Dabos, L, Naas, T, Iorga, B. | Deposit date: | 2018-09-17 | Release date: | 2019-10-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Substrate Specificity of OXA-48 after beta 5-beta 6 Loop Replacement. Acs Infect Dis., 6, 2020
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3T70
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![BU of 3t70 by Molmil](/molmil-images/mine/3t70) | 5'-Diphenyl Nucleoside Inhibitors of Plasmodium falciparum dUTPase | Descriptor: | 2',5'-dideoxy-5'-[(diphenylmethyl)(methyl)amino]uridine, Deoxyuridine 5'-triphosphate nucleotidohydrolase, putative, ... | Authors: | Hampton, S.E, Baragana, B, Schipani, A, Bosch-Navarrete, C, Musso-Buendia, A, Recio, E, Kaiser, M, Whittingham, J.L, Roberts, S.M, Shevtsov, M, Brannigan, J.A, Kahnberg, P, Brun, R, Wilson, K.S, Gonzalez-Pacanowska, D, Johansson, N.G, Gilbert, I.H. | Deposit date: | 2011-07-29 | Release date: | 2012-08-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design, synthesis, and evaluation of 5'-diphenyl nucleoside analogues as inhibitors of the Plasmodium falciparum dUTPase. Chemmedchem, 6, 2011
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6HPZ
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![BU of 6hpz by Molmil](/molmil-images/mine/6hpz) | Crystal structure of ENL (MLLT1) in complex with acetyllysine | Descriptor: | 1,2-ETHANEDIOL, N(6)-ACETYLLYSINE, Protein ENL | Authors: | Heidenreich, D, Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-09-22 | Release date: | 2018-11-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL). J.Med.Chem., 61, 2018
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6HSX
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![BU of 6hsx by Molmil](/molmil-images/mine/6hsx) | Thrombin in Complex with a D-Phe-Pro-diaminopyridine derivative | Descriptor: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ngo, K, Heine, A, Klebe, G. | Deposit date: | 2018-10-02 | Release date: | 2019-10-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Protein-Induced Change in Ligand Protonation during Trypsin and Thrombin Binding: Hint on Differences in Selectivity Determinants of Both Proteins? J.Med.Chem., 63, 2020
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8COB
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6HUH
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![BU of 6huh by Molmil](/molmil-images/mine/6huh) | CRYSTAL STRUCTURE OF OXA-427 class D BETA-LACTAMASE | Descriptor: | Beta-lactamase, SULFATE ION | Authors: | Zavala, A, Retailleau, P, Bogaerts, P, Glupczynski, Y, Naas, T, Iorga, B. | Deposit date: | 2018-10-08 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | CRYSTAL STRUCTURE OF CMY-OXA-427-HisTag BETA-LACTAMASE To be published
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6HUK
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![BU of 6huk by Molmil](/molmil-images/mine/6huk) | CryoEM structure of human full-length alpha1beta3gamma2L GABA(A)R in complex with bicuculline and megabody Mb38. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Gamma-aminobutyric acid receptor subunit alpha-1,Gamma-aminobutyric acid receptor subunit alpha-1, Gamma-aminobutyric acid receptor subunit beta-3, ... | Authors: | Masiulis, S, Desai, R, Uchanski, T, Serna Martin, I, Laverty, D, Karia, D, Malinauskas, T, Jasenko, Z, Pardon, E, Kotecha, A, Steyaert, J, Miller, K.W, Aricescu, A.R. | Deposit date: | 2018-10-08 | Release date: | 2019-01-02 | Last modified: | 2022-03-30 | Method: | ELECTRON MICROSCOPY (3.69 Å) | Cite: | GABAAreceptor signalling mechanisms revealed by structural pharmacology. Nature, 565, 2019
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8C0E
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![BU of 8c0e by Molmil](/molmil-images/mine/8c0e) | The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase Wzz form a complex in vivo and in vitro | Descriptor: | ECA polysaccharide chain length modulation protein | Authors: | Weckener, M, Woodward, L.S, Clarke, B.R, Liu, H, Ward, P.N, Le Bas, A, Bhella, D, Whitfield, C, Naismith, J.H. | Deposit date: | 2022-12-16 | Release date: | 2023-04-19 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | The lipid linked oligosaccharide polymerase Wzy and its regulating co-polymerase, Wzz, from enterobacterial common antigen biosynthesis form a complex. Open Biology, 13, 2023
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3ZJ6
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![BU of 3zj6 by Molmil](/molmil-images/mine/3zj6) | Crystal of Raucaffricine Glucosidase in complex with inhibitor | Descriptor: | (1R,2S,3S,4R,5R)-4-(cyclohexylmethylamino)-5-(hydroxymethyl)cyclopentane-1,2,3-triol, RAUCAFFRICINE-O-BETA-D-GLUCOSIDASE, SULFATE ION | Authors: | Xia, L, Lin, H, Panjikar, S, Ruppert, M, Castiglia, A, Rajendran, C, Wang, M, Schuebel, H, Warzecha, H, Jaeger, V, Stoeckigt, J. | Deposit date: | 2013-01-17 | Release date: | 2014-01-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Ligand Structures of Synthetic Deoxa-Pyranosylamines with Raucaffricine and Strictosidine Glucosidases Provide Structural Insights Into Their Binding and Inhibitory Behaviours. J.Enzyme.Inhib.Med.Chem., 30, 2015
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6I0W
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![BU of 6i0w by Molmil](/molmil-images/mine/6i0w) | Human Carbonic Anhydrase II in complex with 4-Methoxybenzenesulfonamide | Descriptor: | 4-methoxybenzenesulfonamide, Carbonic anhydrase 2, MERCURIBENZOIC ACID, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2018-10-26 | Release date: | 2019-11-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Conformational Changes in Alkyl Chains Determine the Thermodynamic and Kinetic Binding Profiles of Carbonic Anhydrase Inhibitors. Acs Chem.Biol., 15, 2020
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1ZTA
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![BU of 1zta by Molmil](/molmil-images/mine/1zta) | THE SOLUTION STRUCTURE OF A LEUCINE-ZIPPER MOTIF PEPTIDE | Descriptor: | LEUCINE ZIPPER MONOMER | Authors: | Saudek, V, Pastore, A, Castiglione Morelli, M.A, Frank, R, Gausepohl, H, Gibson, T. | Deposit date: | 1990-10-11 | Release date: | 1993-04-15 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The solution structure of a leucine-zipper motif peptide. Protein Eng., 4, 1991
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4KUP
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![BU of 4kup by Molmil](/molmil-images/mine/4kup) | Endothiapepsin in complex with 20mM acylhydrazone inhibitor | Descriptor: | (2S)-2-azanyl-3-(3H-indol-3-yl)-N-[(E)-(2,4,6-trimethylphenyl)methylideneamino]propanamide, ACETATE ION, DIMETHYL SULFOXIDE, ... | Authors: | Radeva, N, Heine, A, Klebe, G. | Deposit date: | 2013-05-22 | Release date: | 2014-04-02 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.311 Å) | Cite: | Structure-based design of inhibitors of the aspartic protease endothiapepsin by exploiting dynamic combinatorial chemistry. Angew.Chem.Int.Ed.Engl., 53, 2014
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6H8L
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![BU of 6h8l by Molmil](/molmil-images/mine/6h8l) | Structure of peptidoglycan deacetylase PdaC from Bacillus subtilis | Descriptor: | L(+)-TARTARIC ACID, Peptidoglycan-N-acetylmuramic acid deacetylase PdaC, ZINC ION | Authors: | Sainz-Polo, M.A, Grifoll-Romero, L, Albesa-Jove, D, Planas, A, Guerin, M.E. | Deposit date: | 2018-08-02 | Release date: | 2019-11-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Structure-function relationships underlying the dualN-acetylmuramic andN-acetylglucosamine specificities of the bacterial peptidoglycan deacetylase PdaC. J.Biol.Chem., 294, 2019
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1MZN
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![BU of 1mzn by Molmil](/molmil-images/mine/1mzn) | CRYSTAL STRUCTURE at 1.9 ANGSTROEMS RESOLUTION OF THE HOMODIMER OF HUMAN RXR ALPHA LIGAND BINDING DOMAIN BOUND TO THE SYNTHETIC AGONIST COMPOUND BMS 649 AND A COACTIVATOR PEPTIDE | Descriptor: | 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID, Nuclear receptor coactivator 2, RXR retinoid X receptor | Authors: | Egea, P.F, Mitschler, A, Moras, D. | Deposit date: | 2002-10-09 | Release date: | 2002-10-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Recognition of Agonist Ligands by RXRs MOL.ENDOCRINOL., 16, 2002
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6H96
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![BU of 6h96 by Molmil](/molmil-images/mine/6h96) | AlbA-albicidin complex, albicidin resistance protein | Descriptor: | 4-[[4-[[4-[(3~{S})-5-azanyl-3-[[4-[[(~{E})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoyl]amino]phenyl]carbonylamino]-2-oxidanylidene-3~{H}-pyrrol-1-yl]phenyl]carbonylamino]-3-methoxy-2-oxidanyl-phenyl]carbonylamino]-3-methoxy-2-oxidanyl-benzoic acid, Albicidin resistance protein, SULFATE ION | Authors: | Koehnke, J, Sikandar, A. | Deposit date: | 2018-08-03 | Release date: | 2018-11-21 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Adaptation of a Bacterial Multidrug Resistance System Revealed by the Structure and Function of AlbA. J.Am.Chem.Soc., 140, 2018
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