4HLQ
| Crystal structure of human rab1b bound to GDP and BEF3 in complex with the GAP domain of TBC1D20 from homo sapiens | Descriptor: | BERYLLIUM TRIFLUORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Gazdag, E.M, Gavriljuk, K, Itzen, A, Koetting, C, Gerwert, K, Goody, R.S. | Deposit date: | 2012-10-17 | Release date: | 2013-01-16 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Catalytic mechanism of a mammalian Rab-RabGAP complex in atomic detail. Proc.Natl.Acad.Sci.USA, 109, 2012
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6U9K
| MLL1 SET N3861I/Q3867L bound to inhibitor 18 (TC-5153) | Descriptor: | 5'-([(3S)-3-amino-3-carboxypropyl]{[1-(3,3-diphenylpropyl)azetidin-3-yl]methyl}amino)-5'-deoxyadenosine, GLYCEROL, Histone-lysine N-methyltransferase, ... | 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 Å) | Cite: | Discovery of Potent Small-Molecule Inhibitors of MLL Methyltransferase. Acs Med.Chem.Lett., 11, 2020
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5T5V
| LIPOXYGENASE-1 (SOYBEAN) AT 293K | Descriptor: | FE (III) ION, Seed linoleate 13S-lipoxygenase-1 | Authors: | Poss, E.M, Fraser, J.S. | Deposit date: | 2016-08-31 | Release date: | 2017-09-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Hydrogen-Deuterium Exchange of Lipoxygenase Uncovers a Relationship between Distal, Solvent Exposed Protein Motions and the Thermal Activation Barrier for Catalytic Proton-Coupled Electron Tunneling. ACS Cent Sci, 3, 2017
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5SZG
| Structure of the bMERB domain of Mical-3 | Descriptor: | DI(HYDROXYETHYL)ETHER, Protein-methionine sulfoxide oxidase MICAL3 | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Gazdag, E.M, Mueller, M.P. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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5SZK
| Structure of human N-terminally engineered Rab1b in complex with the bMERB domain of Mical-cL | Descriptor: | MAGNESIUM ION, MICAL C-terminal-like protein, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Rai, A, Oprisko, A, Campos, J, Fu, Y, Friese, T, Itzen, A, Goody, R.S, Gazdag, E.M, Mueller, M.P. | Deposit date: | 2016-08-14 | Release date: | 2016-08-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | bMERB domains are bivalent Rab8 family effectors evolved by gene duplication. Elife, 5, 2016
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2DRM
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6WPR
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4CN6
| GlgE isoform 1 from Streptomyces coelicolor E423A mutant with maltose bound | Descriptor: | ALPHA-1,4-GLUCAN:MALTOSE-1-PHOSPHATE MALTOSYLTRANSFERASE 1, alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Syson, K, Stevenson, C.E.M, Rashid, A.M, Saalbach, G, Tang, M, Tuukanen, A, Svergun, D.I, Withers, S.G, Lawson, D.M, Bornemann, S. | Deposit date: | 2014-01-21 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Structural Insight Into How Streptomyces Coelicolor Maltosyl Transferase Glge Binds Alpha-Maltose 1-Phosphate and Forms a Maltosyl-Enzyme Intermediate. Biochemistry, 53, 2014
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6UC0
| Isolated S3D-cofilin bound to an actin filament | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ... | Authors: | Huehn, A.R, Bibeau, J.P, Schramm, A.C, Cao, W, De La Cruz, E.M, Sindelar, C.V. | Deposit date: | 2019-09-13 | Release date: | 2020-01-01 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (7.5 Å) | Cite: | Structures of cofilin-induced structural changes reveal local and asymmetric perturbations of actin filaments. Proc.Natl.Acad.Sci.USA, 117, 2020
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6WQP
| GH5-4 broad specificity endoglucanase from Ruminococcus champanellensis | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Endoglucanase, ... | Authors: | Bianchetti, C.M, Bingman, C.A, Smith, R.W, Glasgow, E.M, Fox, B.G. | Deposit date: | 2020-04-29 | Release date: | 2020-11-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 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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4HL4
| Crystal structure of the human TBC1D20 RabGAP domain | Descriptor: | ACETATE ION, BERYLLIUM TRIFLUORIDE ION, TBC1 domain family member 20 | Authors: | Gazdag, E.M, Gavriljuk, K, Itzen, A, Koetting, C, Gerwert, K, Goody, R.S. | Deposit date: | 2012-10-16 | Release date: | 2013-01-16 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Catalytic mechanism of a mammalian Rab-RabGAP complex in atomic detail. Proc.Natl.Acad.Sci.USA, 109, 2012
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5JHR
| Yeast 20S proteasome in complex with the peptidic epoxyketone inhibitor 27 | Descriptor: | (2S)-2-azido-N-[(2S)-3-(biphenyl-4-yl)-1-{[(2S)-1-{[(2S,3S,4R)-3,5-dihydroxy-4-methylpentan-2-yl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-1-oxopropan-2-yl]-3-phenylpropanamide (non-preferred name), 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Huber, E.M, Groll, M. | Deposit date: | 2016-04-21 | Release date: | 2016-08-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structure-Based Design of beta 5c Selective Inhibitors of Human Constitutive Proteasomes. J.Med.Chem., 59, 2016
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4BWV
| Structure of Adenosine 5-prime-phosphosulfate Reductase apr-b from Physcomitrella Patens | Descriptor: | DI(HYDROXYETHYL)ETHER, PHOSPHOADENOSINE-PHOSPHOSULPHATE REDUCTASE | Authors: | Stevenson, C.E.M, Hughes, R.K, McManus, M.T, Lawson, D.M, Kopriva, S. | Deposit date: | 2013-07-04 | Release date: | 2013-11-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The X-Ray Crystal Structure of Apr-B, an Atypical Adenosine 5-Prime-Phosphosulfate Reductase from Physcomitrella Patens FEBS Lett., 587, 2013
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5NRT
| Cys-Gly dipeptidase GliJ in complex with Ca2+ | Descriptor: | CALCIUM ION, Dipeptidase gliJ, MAGNESIUM ION | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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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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5TEH
| c-Src V281C kinase domain in complex with Rao-IV-156 | Descriptor: | (2S)-3-[4-amino-7-(2-methoxyethyl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyano-N-(propan-2-yl)propanamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Dieter, E.M, Merritt, E.A, Maly, D.J. | Deposit date: | 2016-09-21 | Release date: | 2017-09-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | A combined approach reveals a regulatory mechanism coupling Src's kinase activity, localization, and phosphotransferase-independent functions Mol.Cell, 2019
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5NS5
| Cys-Gly dipeptidase GliJ in complex with Cu2+ and Zn2+ | Descriptor: | CHLORIDE ION, COPPER (II) ION, Dipeptidase gliJ, ... | Authors: | Groll, M, Huber, E.M. | Deposit date: | 2017-04-25 | Release date: | 2017-05-31 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ. ACS Chem. Biol., 12, 2017
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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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5JHS
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6WR1
| Human steroidogenic cytochrome P450 17A1 mutant N52Y with inhibitor abiraterone | Descriptor: | Abiraterone, PROTOPORPHYRIN IX CONTAINING FE, Steroid 17-alpha-hydroxylase/17,20 lyase | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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6WR0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-delta4-abiraterone analog | Descriptor: | (8alpha)-17-(pyridin-3-yl)androsta-4,16-dien-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-04-29 | Release date: | 2021-05-05 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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1H95
| Solution structure of the single-stranded DNA-binding Cold Shock Domain (CSD) of human Y-box protein 1 (YB1) determined by NMR (10 lowest energy structures) | Descriptor: | Y-BOX BINDING PROTEIN | Authors: | Kloks, C.P.A.M, Spronk, C.A.E.M, Hoffmann, A, Vuister, G.W, Grzesiek, S, Hilbers, C.W. | Deposit date: | 2001-02-23 | Release date: | 2002-02-21 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | The Solution Structure and DNA-Binding Properties of the Cold-Shock Domain of the Human Y-Box Protein Yb-1. J.Mol.Biol., 316, 2002
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6WW0
| Human steroidogenic cytochrome P450 17A1 with 3-keto-5alpha-abiraterone analog | Descriptor: | (5alpha,8alpha)-17-(pyridin-3-yl)androst-16-en-3-one, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Petrunak, E.M, Bart, A.G, Scott, E.E. | Deposit date: | 2020-05-07 | Release date: | 2021-05-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Human cytochrome P450 17A1 structures with metabolites of prostate cancer drug abiraterone reveal substrate-binding plasticity and a second binding site. J.Biol.Chem., 299, 2023
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1GUE
| SENSORY RHODOPSIN II | Descriptor: | CHLORIDE ION, RETINAL, SENSORY RHODOPSIN II | Authors: | Edman, K, Royant, A, Nollert, P, Maxwell, C.A, Pebay-Peyroula, E, Navarro, J, Neutze, R, Landau, E.M. | Deposit date: | 2002-01-24 | Release date: | 2002-04-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Early Structural Rearrangements in the Photocycle of an Integral Membrane Sensory Receptor Structure, 10, 2002
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