4IKP
 
 | | Crystal structure of coactivator-associated arginine methyltransferase 1 with methylenesinefungin | | Descriptor: | (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid, GLYCEROL, Histone-arginine methyltransferase CARM1, ... | | Authors: | Dong, A, Dombrovski, L, He, H, Ibanez, G, Wernimont, A, Zheng, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Luo, M, Wu, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2012-12-27 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A chemical probe of CARM1 alters epigenetic plasticity against breast cancer cell invasion.
Elife, 8, 2019
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6K8X
 | | Crystal structure of a class C beta lactamase | | Descriptor: | Beta-lactamase | | Authors: | Bae, D.W, Jung, Y.E, An, Y.J, Na, J.H, Cha, S.S. | | Deposit date: | 2019-06-13 | | Release date: | 2019-10-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.59 Å) | | Cite: | Structural Insights into Catalytic Relevances of Substrate Poses in ACC-1.
Antimicrob.Agents Chemother., 63, 2019
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4IDQ
 | | human atlastin-1 1-446, N440T, GDPAlF4- | | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, ... | | Authors: | Byrnes, L.J, Singh, A, Szeto, K, Benvin, N.M, O'Donnell, J.P, Zipfel, W.R, Sondermann, H. | | Deposit date: | 2012-12-12 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.295 Å) | | Cite: | Structural basis for conformational switching and GTP loading of the large G protein atlastin.
Embo J., 32, 2013
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2X3T
 | | Glutaraldehyde-crosslinked wheat germ agglutinin isolectin 1 crystal soaked with a synthetic glycopeptide | | Descriptor: | 2-acetamido-1-O-carbamoyl-2-deoxy-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, D-ALPHA-AMINOBUTYRIC ACID, ... | | Authors: | Schwefel, D, Maierhofer, C, Wittmann, V, Diederichs, K, Welte, W. | | Deposit date: | 2010-01-26 | | Release date: | 2010-06-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.749 Å) | | Cite: | Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
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1GYH
 | | Structure of D158A Cellvibrio cellulosa alpha-L-arabinanase mutant | | Descriptor: | ARABINAN ENDO-1,5-ALPHA-L-ARABINOSIDASE A, CHLORIDE ION | | Authors: | Nurizzo, D, Turkenburg, J.P, Charnock, S.J, Roberts, S.M, Dodson, E.J, McKie, V.A, Taylor, E.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2002-04-23 | | Release date: | 2002-08-23 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Cellovibrio Cellulosa Alpha-L-Arabinanase 43A Has a Novel Five-Blade Beta-Propeller Fold
Nat.Struct.Biol., 9, 2002
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6DMF
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2X94
 | | Crystal structure of AnCE-perindoprilat complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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2X91
 | | Crystal structure of AnCE-lisinopril complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Akif, M, Georgiadis, D, Mahajan, A, Dive, V, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | | Deposit date: | 2010-03-14 | | Release date: | 2010-06-02 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | High Resolution Crystal Structures of Drosophila Melanogaster Angiotensin Converting Enzyme in Complex with Novel Inhibitors and Anti- Hypertensive Drugs.
J.Mol.Biol., 400, 2010
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2ORV
 | | human Thymidine Kinase 1 in complex with TP4A | | Descriptor: | P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE, Thymidine kinase, ZINC ION | | Authors: | Segura-Pena, D, Lutz, S, Monnerjahn, C, Konrad, M, Lavie, A. | | Deposit date: | 2007-02-04 | | Release date: | 2007-03-27 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Binding of ATP to TK1-like Enzymes Is Associated with a Conformational Change in the Quaternary Structure.
J.Mol.Biol., 369, 2007
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5QDW
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOPL000465a | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-methoxy-N-[(1R)-1-phenylethyl]acetamide, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.212 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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3Q18
 | | Human Glutathione Transferase O2 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Zhou, H, Board, P.G, Oakley, A.J. | | Deposit date: | 2010-12-16 | | Release date: | 2012-01-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
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4EZ5
 | | CDK6 (monomeric) in complex with inhibitor | | Descriptor: | Cyclin-dependent kinase 6, {5-[4-(dimethylamino)piperidin-1-yl]-1H-imidazo[4,5-b]pyridin-2-yl}[2-(isoquinolin-4-yl)pyridin-4-yl]methanone | | Authors: | Chopra, R, Xu, M. | | Deposit date: | 2012-05-02 | | Release date: | 2013-02-06 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of 7-Azabenzimidazoles as Potent, Highly Selective, and Orally Active CDK4/6 Inhibitors.
ACS Med Chem Lett, 3, 2012
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2ZZ9
 | | Structure of aquaporin-4 S180D mutant at 2.8 A resolution by electron crystallography | | Descriptor: | 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Aquaporin-4 | | Authors: | Tani, K, Mitsuma, T, Hiroaki, Y, Kamegawa, A, Nishikawa, K, Tanimura, Y, Fujiyoshi, Y. | | Deposit date: | 2009-02-06 | | Release date: | 2009-06-09 | | Last modified: | 2023-11-08 | | Method: | ELECTRON CRYSTALLOGRAPHY (2.8 Å) | | Cite: | Mechanism of Aquaporin-4's Fast and Highly Selective Water Conduction and Proton Exclusion.
J.Mol.Biol., 389, 2009
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1WB6
 | | S954A mutant of the feruloyl esterase module from clostridium thermocellum complexed with vanillate | | Descriptor: | ACETATE ION, CADMIUM ION, ENDO-1,4-BETA-XYLANASE Y, ... | | Authors: | Tarbouriech, N, Prates, J.A, Fontes, C, Davies, G.J. | | Deposit date: | 2004-10-30 | | Release date: | 2006-05-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Molecular Determinants of Substrate Specificity in the Feruloyl Esterase Module of Xylanase 10B from Clostridium Thermocellum
Acta Crystallogr.,Sect.D, 61, 2005
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3LAF
 | | Structure of DCC, a netrin-1 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Deleted in Colorectal Cancer, SULFATE ION, ... | | Authors: | Chen, Q, Liu, J.-H, Wang, J.-H. | | Deposit date: | 2010-01-06 | | Release date: | 2011-03-02 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | N-terminal horseshoe conformation of DCC is functionally required for axon guidance and might be shared by other neural receptors.
J.Cell.Sci., 126, 2013
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5QEN
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000955b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1, [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methanol | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.775 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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3A2J
 | | Crystal structure of the human vitamin D receptor (H305F/H397F) ligand binding domain complexed with TEI-9647 | | Descriptor: | (1S,3R,5Z,7E,20S,23S)-1,3-dihydroxy-23,26-epoxy-9,10-secocholesta-5,7,10,25(27)-tetraen-26-one, Vitamin D3 receptor | | Authors: | Kakuda, S, Takimoto-Kamimura, M. | | Deposit date: | 2009-05-20 | | Release date: | 2010-05-26 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis of the histidine-mediated vitamin D receptor agonistic and antagonistic mechanisms of (23S)-25-dehydro-1alpha-hydroxyvitamin D(3)-26,23-lactone
Acta Crystallogr.,Sect.D, 66, 2010
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5QF5
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA001440b | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-methyl-1-benzofuran-2-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.725 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QFG
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000523a | | Descriptor: | (1R,4R,5R,6R)-4,6-dimethoxy-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.654 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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5QFW
 | | PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMOOA000497a | | Descriptor: | (1S,4R,5S,6R)-2-(methylsulfonyl)-2-azabicyclo[3.3.1]nonane-4,6-diol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Tyrosine-protein phosphatase non-receptor type 1 | | Authors: | Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S. | | Deposit date: | 2018-08-30 | | Release date: | 2018-10-10 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.662 Å) | | Cite: | An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
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3LCD
 | | Inhibitor Bound to A DFG-In structure of the Kinase Domain of CSF-1R | | Descriptor: | Macrophage colony-stimulating factor 1 receptor, N~3~-(2,6-dichlorobenzyl)-5-(4-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}phenyl)pyrazine-2,3-diamine, SULFATE ION | | Authors: | Kamtekar, S, Day, J.E, Reitz, B.A, Mathis, K.J, Meyers, M.J. | | Deposit date: | 2010-01-10 | | Release date: | 2010-03-02 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-based drug design enables conversion of a DFG-in binding CSF-1R kinase inhibitor to a DFG-out binding mode
Bioorg.Med.Chem.Lett., 20, 2010
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4ICY
 | | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kallio, P, Patrikainen, P, Belogurov, G, Mantsala, P, Yang, K, Niemi, J, Metsa-Ketela, M. | | Deposit date: | 2012-12-11 | | Release date: | 2013-06-12 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Tracing the Evolution of Angucyclinone Monooxygenases: Structural Determinants for C-12b Hydroxylation and Substrate Inhibition in PgaE.
Biochemistry, 52, 2013
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1MX5
 | | Crystal Structure of Human Liver Carboxylesterase in complexed with homatropine, a cocaine analogue | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, HOMOTROPINE, ... | | Authors: | Bencharit, S, Morton, C.L, Xue, Y, Potter, P.M, Redinbo, M.R. | | Deposit date: | 2002-10-01 | | Release date: | 2003-04-08 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis of Heroin and Cocaine Metabolism by a Promiscuous Human Drug-Processing Enzyme
Nat.Struct.Biol., 10, 2003
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4Q3S
 | | Crystal structure of Schistosoma mansoni arginase in complex with inhibitor ABHPE | | Descriptor: | Arginase, GLYCEROL, MANGANESE (II) ION, ... | | Authors: | Hai, Y, Edwards, J.E, Van Zandt, M.C, Hoffmann, K.F, Christianson, D.W. | | Deposit date: | 2014-04-12 | | Release date: | 2014-07-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Crystal Structure of Schistosoma mansoni Arginase, a Potential Drug Target for the Treatment of Schistosomiasis.
Biochemistry, 53, 2014
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3ZJK
 | | crystal structure of Ttb-gly F401S mutant | | Descriptor: | BETA GLYCOSIDASE, CHLORIDE ION, GLYCEROL | | Authors: | Teze, D, Tran, V, Tellier, C, Dion, M, Leroux, C, Roncza, J, Czjzek, M. | | Deposit date: | 2013-01-18 | | Release date: | 2013-02-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Semi-Rational Approach for Converting a Gh1 Beta-Glycosidase Into a Beta-Transglycosidase.
Protein Eng.Des.Sel., 27, 2014
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