4UY3
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![BU of 4uy3 by Molmil](/molmil-images/mine/4uy3) | Cytoplasmic domain of bacterial cell division protein ezra | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-28 | Release date: | 2014-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
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4UXV
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![BU of 4uxv by Molmil](/molmil-images/mine/4uxv) | Cytoplasmic domain of bacterial cell division protein EzrA | Descriptor: | SEPTATION RING FORMATION REGULATOR EZRA | Authors: | Cleverley, R.M, Barrett, J.R, Basle, A, Khai-Bui, N, Hewitt, L, Solovyova, A, Xu, Z, Daniela, R.A, Dixon, N.E, Harry, E.J, Oakley, A.J, Vollmer, W, Lewis, R.J. | Deposit date: | 2014-08-27 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.961 Å) | Cite: | Structure and Function of a Spectrin-Like Regulator of Bacterial Cytokinesis. Nat.Commun., 5, 2014
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3GUC
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![BU of 3guc by Molmil](/molmil-images/mine/3guc) | Human Ubiquitin-activating Enzyme 5 in Complex with AMPPNP | Descriptor: | PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Ubiquitin-like modifier-activating enzyme 5, ZINC ION | Authors: | Walker, J.R, Bacik, J.P, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-03-29 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Human Ubiquitin-activating Enzyme 5 in Complex with AMPPNP To be Published
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6DQ7
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1G1X
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![BU of 1g1x by Molmil](/molmil-images/mine/1g1x) | STRUCTURE OF RIBOSOMAL PROTEINS S15, S6, S18, AND 16S RIBOSOMAL RNA | Descriptor: | 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S15, 30S RIBOSOMAL PROTEIN S18, ... | Authors: | Agalarov, S.C, Prasad, G.S, Funke, P.M, Stout, C.D, Williamson, J.R. | Deposit date: | 2000-10-13 | Release date: | 2000-10-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of the S15,S6,S18-rRNA complex: assembly of the 30S ribosome central domain. Science, 288, 2000
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4UWI
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![BU of 4uwi by Molmil](/molmil-images/mine/4uwi) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-4-[3-(4-methylpiperazin-1-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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1GA0
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![BU of 1ga0 by Molmil](/molmil-images/mine/1ga0) | STRUCTURE OF THE E. CLOACAE GC1 BETA-LACTAMASE WITH A CEPHALOSPORIN SULFONE INHIBITOR | Descriptor: | 3-(4-CARBAMOYL-1-CARBOXY-2-METHYLSULFONYL-BUTA-1,3-DIENYLAMINO)-INDOLIZINE-2-CARBOXYLIC ACID, BETA-LACTAMASE, GLYCEROL, ... | Authors: | Crichlow, G.V, Nukaga, M, Buynak, J.D, Knox, J.R. | Deposit date: | 2000-11-28 | Release date: | 2001-06-06 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Inhibition of class C beta-lactamases: structure of a reaction intermediate with a cephem sulfone. Biochemistry, 40, 2001
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4UWJ
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![BU of 4uwj by Molmil](/molmil-images/mine/4uwj) | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a capped pyrazole sulphonamide ligand | Descriptor: | 2,6-dichloro-N-(difluoromethyl)-4-[3-(piperidin-4-yl)propyl]-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | Authors: | Robinson, D.A, Brand, S, Norcross, N.R, Thompson, S, Harrison, J.R, Smith, V.C, Torrie, L.S, McElroy, S.P, Hallyburton, I, Norval, S, Stojanovski, L, Simeons, F.R.C, Frearson, J.A, Brenk, R, Fairlamb, A.H, Ferguson, M.A.J, Wyatt, P.G, Gilbert, I.H, Read, K.D. | Deposit date: | 2014-08-12 | Release date: | 2014-12-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Lead optimization of a pyrazole sulfonamide series of Trypanosoma brucei N-myristoyltransferase inhibitors: identification and evaluation of CNS penetrant compounds as potential treatments for stage 2 human African trypanosomiasis. J. Med. Chem., 57, 2014
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1GCV
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![BU of 1gcv by Molmil](/molmil-images/mine/1gcv) | DEOXY FORM HEMOGLOBIN FROM MUSTELUS GRISEUS | Descriptor: | HEMOGLOBIN, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | Deposit date: | 2000-08-08 | Release date: | 2000-08-31 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins. J.Mol.Biol., 307, 2001
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3GNG
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![BU of 3gng by Molmil](/molmil-images/mine/3gng) | P21B crystal structure of R1-R7 of Murine MVP | Descriptor: | Major vault protein | Authors: | Querol-Audi, J, Casanas, A, Uson, I, Caston, J.R, Fita, I, Verdaguer, N. | Deposit date: | 2009-03-17 | Release date: | 2009-11-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The mechanism of vault opening from the high resolution structure of the N-terminal repeats of MVP Embo J., 28, 2009
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1GIC
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![BU of 1gic by Molmil](/molmil-images/mine/1gic) | CONCANAVALIN A COMPLEXED WITH METHYL ALPHA-D-GLUCOPYRANOSIDE | Descriptor: | CALCIUM ION, CONCANAVALIN A, MANGANESE (II) ION, ... | Authors: | Bradbrook, G.M, Gleichmann, T, Harrop, S.J, Helliwell, J.R, Habash, J, Kalb(Gilboa), A.J, Tong, L, Wan, T.C.M, Yariv, J. | Deposit date: | 1996-08-08 | Release date: | 1997-08-20 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure solution of a cubic crystal of concanavalin A complexed with methyl alpha-D-glucopyranoside. Acta Crystallogr.,Sect.D, 52, 1996
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1GJC
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![BU of 1gjc by Molmil](/molmil-images/mine/1gjc) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | 2-(2-HYDROXY-BIPHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE, CITRIC ACID, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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3GZL
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![BU of 3gzl by Molmil](/molmil-images/mine/3gzl) | Crystal Structure of holo PfACP Disulfide-Linked Dimer | Descriptor: | 4'-PHOSPHOPANTETHEINE, Acyl carrier protein | Authors: | Gallagher, J.R, Prigge, S.T. | Deposit date: | 2009-04-07 | Release date: | 2009-04-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Plasmodium falciparum acyl carrier protein crystal structures in disulfide-linked and reduced states and their prevalence during blood stage growth. Proteins, 78, 2010
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3H1D
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![BU of 3h1d by Molmil](/molmil-images/mine/3h1d) | Structure of the HUWE1 HECT Domain | Descriptor: | E3 ubiquitin-protein ligase HUWE1, SULFATE ION | Authors: | Partridge, J.R, Schwartz, T.U. | Deposit date: | 2009-04-11 | Release date: | 2009-12-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | A structural element within the HUWE1 HECT domain modulates self-ubiquitination and substrate ubiquitination activities. J.Biol.Chem., 285, 2010
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6DQ4
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![BU of 6dq4 by Molmil](/molmil-images/mine/6dq4) | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR GSK-J1 | Descriptor: | 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.392 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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1GJ4
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![BU of 1gj4 by Molmil](/molmil-images/mine/1gj4) | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-04-27 | Release date: | 2002-04-27 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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6DQD
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1GJD
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![BU of 1gjd by Molmil](/molmil-images/mine/1gjd) | ENGINEERING INHIBITORS HIGHLY SELECTIVE FOR THE S1 SITES OF SER190 TRYPSIN-LIKE SERINE PROTEASE DRUG TARGETS | Descriptor: | CITRIC ACID, N-(4-CARBAMIMIDOYL-3-CHORO-PHENYL)-2-HYDROXY-3-IODO-5-METHYL-BENZAMIDE, UROKINASE-TYPE PLASMINOGEN ACTIVATOR | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | Deposit date: | 2001-05-03 | Release date: | 2002-05-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets. Chem.Biol., 8, 2001
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6DQ9
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![BU of 6dq9 by Molmil](/molmil-images/mine/6dq9) | Linked KDM5A JMJ Domain Bound to the Covalent Inhibitor N69 i.e. [2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid] | Descriptor: | 1,2-ETHANEDIOL, 2-{(R)-[3-(acryloylamino)phenyl][2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Horton, J.R, Cheng, X. | Deposit date: | 2018-06-10 | Release date: | 2018-11-21 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.748 Å) | Cite: | Structure-Based Engineering of Irreversible Inhibitors against Histone Lysine Demethylase KDM5A. J. Med. Chem., 61, 2018
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1IKI
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![BU of 1iki by Molmil](/molmil-images/mine/1iki) | COMPLEX OF STREPTOMYCES R61 DD-PEPTIDASE WITH THE PRODUCTS OF A SPECIFIC PEPTIDOGLYCAN SUBSTRATE FRAGMENT | Descriptor: | D-ALANINE, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE | Authors: | Mcdonough, M.A, Anderson, J.W, Silvaggi, N.R, Pratt, R.F, Knox, J.R, Kelly, J.A. | Deposit date: | 2001-05-03 | Release date: | 2002-09-11 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Structures of two kinetic intermediates reveal species specificity of penicillin-binding proteins. J.Mol.Biol., 322, 2002
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6DFN
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![BU of 6dfn by Molmil](/molmil-images/mine/6dfn) | Crystal structure of estrogen receptor alpha in complex with receptor degrader 16aa | Descriptor: | (2S)-3-(3-hydroxyphenyl)-2-(4-iodophenyl)-4-methyl-2H-1-benzopyran-6-ol, (8S)-8-(4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-1,8-dihydro-2H-[1]benzopyrano[4,3-d][1]benzoxepine-5,11-diol, Estrogen receptor, ... | Authors: | Kiefer, J.R, Vinogradova, M, Liang, J, Zhang, B, Ortwine, D.F, Nettles, K.W, Nwachukwu, J.C. | Deposit date: | 2018-05-15 | Release date: | 2019-02-20 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Unexpected equivalent potency of a constrained chromene enantiomeric pair rationalized by co-crystal structures in complex with estrogen receptor alpha. Bioorg. Med. Chem. Lett., 29, 2019
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6DQ5
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6DQE
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1GCW
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![BU of 1gcw by Molmil](/molmil-images/mine/1gcw) | CO form hemoglobin from mustelus griseus | Descriptor: | CARBON MONOXIDE, PROTEIN (HEMOGLOBIN), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Naoi, Y, Chong, K.T, Yoshimatsu, K, Miyazaki, G, Tame, J.R.H, Park, S.Y, Adachi, S.I, Morimoto, H. | Deposit date: | 2000-08-08 | Release date: | 2000-09-06 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The functional similarity and structural diversity of human and cartilaginous fish hemoglobins. J.Mol.Biol., 307, 2001
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6J3Z
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![BU of 6j3z by Molmil](/molmil-images/mine/6j3z) | Structure of C2S1M1-type PSII-FCPII supercomplex from diatom | Descriptor: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Nagao, R, Kato, K, Shen, J.R, Miyazaki, N, Akita, F. | Deposit date: | 2019-01-07 | Release date: | 2019-08-07 | Last modified: | 2019-11-06 | Method: | ELECTRON MICROSCOPY (3.6 Å) | Cite: | Structural basis for energy harvesting and dissipation in a diatom PSII-FCPII supercomplex. Nat.Plants, 5, 2019
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