1OD8
 
 | | Xylanase Xyn10A from Streptomyces lividans in complex with xylobio-isofagomine lactam | | Descriptor: | ENDO-1,4-BETA-XYLANASE A, IMIDAZOLE, SODIUM ION, ... | | Authors: | Gloster, T.M, Roberts, S, Davies, G.J. | | Deposit date: | 2003-02-14 | | Release date: | 2003-04-08 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.05 Å) | | Cite: | A Xylobiose-Derived Isofagomine Lactam Glycosidase Inhibitor Binds as its Amide Tautomer
Chem.Commun.(Camb.), 8, 2003
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1XN4
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1BD1
 | | CRYSTALLOGRAPHIC STUDY OF ONE TURN OF G/C-RICH B-DNA | | Descriptor: | DNA (5'-D(*CP*CP*AP*GP*GP*CP*CP*TP*GP*G)-3'), TRIETHYLAMMONIUM ION | | Authors: | Heinemann, U. | | Deposit date: | 1989-08-16 | | Release date: | 1990-01-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystallographic study of one turn of G/C-rich B-DNA.
J.Mol.Biol., 210, 1989
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1CGC
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6BL0
 | | Novel Modes of Inhibition of Wild-Type IDH1:Direct Covalent Modification of His315 with Cmpd11 | | Descriptor: | (5aS,6S,8S,9aS)-2-(benzenecarbonyl)-6-methyl-7-oxo-9a-phenyl-4,5,5a,6,7,8,9,9a-octahydro-2H-benzo[g]indazole-8-carbonitrile, ISOCITRIC ACID, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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6BKX
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd1 | | Descriptor: | (6aS,7S,9R,10aS)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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4XZH
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZI
 | | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZN
 | | Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZL
 | | Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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4XZM
 | | Crystal structure of the methylated wild-type AKR1B10 holoenzyme | | Descriptor: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | | Deposit date: | 2015-02-04 | | Release date: | 2015-11-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10.
Chemmedchem, 10, 2015
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1NDA
 | | THE STRUCTURE OF TRYPANOSOMA CRUZI TRYPANOTHIONE REDUCTASE IN THE OXIDIZED AND NADPH REDUCED STATE | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, TRYPANOTHIONE OXIDOREDUCTASE | | Authors: | Lantwin, C.B, Kabsch, W, Pai, E.F, Schlichting, I, Krauth-Siegel, R.L. | | Deposit date: | 1993-07-02 | | Release date: | 1994-09-30 | | Last modified: | 2017-11-29 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The structure of Trypanosoma cruzi trypanothione reductase in the oxidized and NADPH reduced state.
Proteins, 18, 1994
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6BL1
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13 | | Descriptor: | (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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5HUZ
 | | Solution structure of coiled coil domain of myosin binding subunit of myosin light chain phosphatase | | Descriptor: | Protein phosphatase 1 regulatory subunit 12A | | Authors: | Sharma, A.K, Birrane, G, Anklin, C, Rigby, A.C, Pollak, M, Alper, S.L. | | Deposit date: | 2016-01-27 | | Release date: | 2016-03-02 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | To be published
To Be Published
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3V0I
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 256-576, E411F | | Descriptor: | SULFATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-08 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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3V0J
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), Deletion of 401-405 | | Descriptor: | PHOSPHATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-08 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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6BKY
 | | Novel Binding Modes of Inhibition of Wild-Type IDH1: Allosteric Inhibition with Cmpd2 | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 4,5,6,7-TETRABROMO-1H,3H-BENZIMIDAZOL-2-ONE, Isocitrate dehydrogenase [NADP] cytoplasmic, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.17 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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3V0D
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S) | | Descriptor: | PHOSPHATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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6BKZ
 | | Novel Modes of Inhibition of Wild-Type IDH1: Non-equivalent Allosteric Inhibition with Cmpd3 | | Descriptor: | (7R)-1-[(4-fluorophenyl)methyl]-N-{3-[(1R)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrole-2-carbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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4ZEQ
 | | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide, Northeast Structural Genomics Consortium Target HX9247 | | Descriptor: | BH3-interacting domain death agonist, Bcl-2-related protein A1 | | Authors: | Guan, R, Xiao, R, Mao, L, Montelione, G.T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2015-04-20 | | Release date: | 2015-05-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of human BFL-1 in complex with tBid BH3 peptide
To Be Published
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3V0G
 | | Crystal structure of Ciona intestinalis voltage sensor-containing phosphatase (Ci-VSP), residues 241-576(C363S), form III | | Descriptor: | PHOSPHATE ION, Voltage-sensor containing phosphatase | | Authors: | Liu, L, Kohout, S.C, Xu, Q, Muller, S, Kimberlin, C, Isacoff, E.Y, Minor, D.L. | | Deposit date: | 2011-12-08 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | A glutamate switch controls voltage-sensitive phosphatase function.
Nat.Struct.Mol.Biol., 19, 2012
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6BL2
 | | Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd15 | | Descriptor: | 3-[(6aS,7S,9S,10aS)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-6,6a,7,8,9,10-hexahydrobenzo[h]quinazolin-10a(5H)-yl]benzoic acid, CALCIUM ION, ISOCITRIC ACID, ... | | Authors: | Jakob, C.G, Qiu, W. | | Deposit date: | 2017-11-09 | | Release date: | 2018-07-25 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315.
J. Med. Chem., 61, 2018
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4YOE
 | | Structure of UP1 bound to RNA 5'-AGU-3' | | Descriptor: | ACETATE ION, Heterogeneous nuclear ribonucleoprotein A1, RNA AGU, ... | | Authors: | Meagher, J.L, Stuckey, J.A. | | Deposit date: | 2015-03-11 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | The First Crystal Structure of the UP1 Domain of hnRNP A1 Bound to RNA Reveals a New Look for an Old RNA Binding Protein.
J.Mol.Biol., 427, 2015
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6EK4
 | | PaxB from Photorhabdus luminescens | | Descriptor: | PaxB, SODIUM ION | | Authors: | Braeuning, B, Groll, M. | | Deposit date: | 2017-09-25 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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6EL1
 | | YaxAB pore complex | | Descriptor: | YaxA, YaxB | | Authors: | Braeuning, B, Bertosin, E, Dietz, H, Groll, M. | | Deposit date: | 2017-09-27 | | Release date: | 2018-05-16 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (6.1 Å) | | Cite: | Structure and mechanism of the two-component alpha-helical pore-forming toxin YaxAB.
Nat Commun, 9, 2018
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