6Q4D
| CDK2 in complex with FragLite31 | Descriptor: | 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6QIN
| CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | CHLORIDE ION, MAGNESIUM ION, PMGL2 | Authors: | Boyko, K.M, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2019-01-21 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
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1A8Z
| STRUCTURE DETERMINATION OF A 16.8KDA COPPER PROTEIN RUSTICYANIN AT 2.1A RESOLUTION USING ANOMALOUS SCATTERING DATA WITH DIRECT METHODS | Descriptor: | COPPER (I) ION, RUSTICYANIN | Authors: | Harvey, I, Hao, Q, Duke, E.M.H, Ingledew, W.J, Hasnain, S.S. | Deposit date: | 1998-03-30 | Release date: | 1998-06-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure determination of a 16.8 kDa copper protein at 2.1 A resolution using anomalous scattering data with direct methods. Acta Crystallogr.,Sect.D, 54, 1998
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6QLA
| CRYSTAL STRUCTURE OF THE PMGL2 ESTERASE (point mutant 1) FROM PERMAFROST METAGENOMIC LIBRARY | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Boyko, K.M, Garsia, D, Nikolaeva, A.Y, Korzhenevskiy, D.A, Kryukova, M.V, Petrovskaya, L.E, Novototskaya-Vlasova, K.A, Rivkina, E.M, Dolgikh, D.A, Kirpichnikov, M.P, Popov, V.O. | Deposit date: | 2019-01-31 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Crystal structure of PMGL2 esterase from the hormone-sensitive lipase family with GCSAG motif around the catalytic serine. Plos One, 15, 2020
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6RJ8
| Structure of the alpha-beta hydrolase CorS from Tabernathe iboga | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL, ... | Authors: | Farrow, S.C, Caputi, L, Kamileen, M.O, Bussey, K, Stevenson, C.E.M, Mundy, J, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-04-26 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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7JNY
| Crystal structure of CXCL13 | Descriptor: | C-X-C motif chemokine 13 | Authors: | Rosenberg Jr, E.M, Rajasekaran, D, Murphy, J.W, Pantouris, G, Lolis, E.J. | Deposit date: | 2020-08-05 | Release date: | 2020-10-07 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | The N-terminal length and side-chain composition of CXCL13 affect crystallization, structure and functional activity. Acta Crystallogr D Struct Biol, 76, 2020
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1L5R
| Human liver glycogen phosphorylase a complexed with riboflavin, N-Acetyl-beta-D-Glucopyranosylamine and CP-403,700 | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-beta-D-glucopyranosylamine, PYRIDOXAL-5'-PHOSPHATE, ... | Authors: | Ekstrom, J.L, Pauly, T.A, Carty, M.D, Soeller, W.C, Culp, J, Danley, D.E, Hoover, D.J, Treadway, J.L, Gibbs, E.M, Fletterick, R.J, Day, Y.S.N, Myszka, D.G, Rath, V.L. | Deposit date: | 2002-03-07 | Release date: | 2002-12-04 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-activity analysis of the purine binding
site of human liver glycogen phosphorylase. Chem.Biol., 9, 2002
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6U9N
| MLL1 SET N3861I/Q3867L bound to inhibitor 14 (TC-5139) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(4-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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6SG4
| Structure of CDK2/cyclin A M246Q, S247EN | Descriptor: | Cyclin-A2, Cyclin-dependent kinase 2 | Authors: | Salamina, M, Basle, A, Massa, B, Noble, M.E.M, Endicott, J.A. | Deposit date: | 2019-08-02 | Release date: | 2021-01-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.43 Å) | Cite: | Discriminative SKP2 Interactions with CDK-Cyclin Complexes Support a Cyclin A-Specific Role in p27KIP1 Degradation. J.Mol.Biol., 433, 2021
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1ATG
| AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | Deposit date: | 1997-08-14 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA. Structure, 6, 1998
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4TIM
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7JSR
| Crystal structure of the large glutamate dehydrogenase composed of 180 kDa subunits from Mycobacterium smegmatis | Descriptor: | NAD-specific glutamate dehydrogenase | Authors: | Lazaro, M, Melero, R, Huet, C, Lopez-Alonso, J.P, Delgado, S, Dodu, A, Bruch, E.M, Abriata, L.A, Alzari, P.M, Valle, M, Lisa, M.N. | Deposit date: | 2020-08-15 | Release date: | 2021-06-09 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (6.27 Å) | Cite: | 3D architecture and structural flexibility revealed in the subfamily of large glutamate dehydrogenases by a mycobacterial enzyme. Commun Biol, 4, 2021
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6QVM
| Undecaheme cytochrome from S-layer of Carboxydothermus ferrireducens | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ... | Authors: | Osipov, E.M, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Gavrilov, S.F, Popov, V.O. | Deposit date: | 2019-03-04 | Release date: | 2020-03-25 | Last modified: | 2023-02-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Extracellular Fe(III) reductase structure reveals a modular organization enabling S-layer insertion and electron transfer to insoluble substrates Structure, 2023
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1LA0
| Solution Structure of Calcium Saturated Cardiac Troponin C in the Troponin C-Troponin I Complex | Descriptor: | CALCIUM ION, Troponin C, slow skeletal and cardiac muscles | Authors: | Dvoretsky, A, Abusamhadneh, E.M, Howarth, J.W, Rosevear, P.R. | Deposit date: | 2002-03-27 | Release date: | 2002-12-11 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution Structure of Calcium-Saturated Cardiac Troponin C bound to cardiac Troponin I. J.Biol.Chem., 277, 2002
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6UI3
| GH5-4 broad specificity endoglucanase from Clostridum cellulovorans | Descriptor: | 1,2-ETHANEDIOL, Cellulase | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2019-09-30 | Release date: | 2020-10-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A structural and kinetic survey of GH5_4 endoglucanases reveals determinants of broad substrate specificity and opportunities for biomass hydrolysis. J.Biol.Chem., 295, 2020
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6U9R
| MLL1 SET N3861I/Q3867L bound to inhibitor 12 (TC-5140) | Descriptor: | 5'-{[(3S)-3-amino-3-carboxypropyl]({1-[(3-chlorophenyl)methyl]azetidin-3-yl}methyl)amino}-5'-deoxyadenosine, Histone-lysine N-methyltransferase, ZINC ION | Authors: | Petrunak, E.M, Stuckey, J.A. | Deposit date: | 2019-09-09 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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7MDZ
| 80S rabbit ribosome stalled with benzamide-CHX | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S21, ... | Authors: | Koga, Y, Hoang, E.M, Park, Y, Keszei, A.F.A, Murray, J, Shao, S, Liau, B.B. | Deposit date: | 2021-04-06 | Release date: | 2021-09-01 | Last modified: | 2021-09-15 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Discovery of C13-Aminobenzoyl Cycloheximide Derivatives that Potently Inhibit Translation Elongation. J.Am.Chem.Soc., 143, 2021
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6S6H
| Crystal structure of the DNA binding domain of the chromosome-partitioning protein ParB complexed to the centromeric parS site | Descriptor: | Chromosome-partitioning protein ParB, DNA (5'-D(*GP*AP*TP*GP*TP*TP*TP*CP*AP*CP*GP*TP*GP*AP*AP*AP*CP*AP*TP*C)-3'), GLYCEROL | Authors: | Jalal, A.S.B, Tran, N.T, Stevenson, C.E.M, Tan, E.X, Lawson, D.M, Le, T.B.K. | Deposit date: | 2019-07-03 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Diversification of DNA-Binding Specificity by Permissive and Specificity-Switching Mutations in the ParB/Noc Protein Family. Cell Rep, 32, 2020
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1KUY
| X-ray Crystallographic Studies of Serotonin N-acetyltransferase Catalysis and Inhibition | Descriptor: | COA-S-ACETYL TRYPTAMINE, Serotonin N-acetyltransferase | Authors: | Wolf, E, De Angelis, J, Khalil, E.M, Cole, P.A, Burley, S.K. | Deposit date: | 2002-01-22 | Release date: | 2002-03-22 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | X-ray crystallographic studies of serotonin N-acetyltransferase catalysis and inhibition. J.Mol.Biol., 317, 2002
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6RS4
| Structure of tabersonine synthase - an alpha-beta hydrolase from Catharanthus roseus | Descriptor: | 1,2-ETHANEDIOL, Tabersonine synthase | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-21 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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6RT8
| Structure of catharanthine synthase - an alpha-beta hydrolase from Catharanthus roseus with a cleaviminium intermediate bound | Descriptor: | 18-carboxymethoxy-cleaviminium, Catharanthine synthase, HEXAETHYLENE GLYCOL | Authors: | Caputi, L, Franke, J, Bussey, K, Farrow, S.C, Curcino Vieira, I.J, Stevenson, C.E.M, Lawson, D.M, O'Connor, S.E. | Deposit date: | 2019-05-22 | Release date: | 2020-03-04 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis of cycloaddition in biosynthesis of iboga and aspidosperma alkaloids. Nat.Chem.Biol., 16, 2020
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7MIF
| Human CTPS1 bound to inhibitor R80 | Descriptor: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-16 | Release date: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIP
| Mouse CTPS1 bound to inhibitor R80 | Descriptor: | CTP synthase 1, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MIV
| Mouse CTPS2-I250T bound to inhibitor R80 | Descriptor: | CTP synthase 2, GLUTAMINE, MAGNESIUM ION, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-17 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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7MII
| Human CTPS2 bound to inhibitor T35 | Descriptor: | 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide, CTP synthase 2, GLUTAMINE, ... | Authors: | Lynch, E.M, Dimattia, M.A, Kollman, J.M. | Deposit date: | 2021-04-16 | Release date: | 2021-10-13 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Structural basis for isoform-specific inhibition of human CTPS1. Proc.Natl.Acad.Sci.USA, 118, 2021
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