6DE7
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![BU of 6de7 by Molmil](/molmil-images/mine/6de7) | |
4N4V
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4N3R
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![BU of 4n3r by Molmil](/molmil-images/mine/4n3r) | Co-crystal structure of tankyrase 1 with compound 2 (5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide) | Descriptor: | 5-(2-aminoquinazolin-6-yl)-N-(4,4-dimethyl-2-oxo-1,2,3,4-tetrahydroquinolin-7-yl)-2-fluorobenzamide, Tankyrase-1, ZINC ION | Authors: | Huang, X. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-based design of 2-aminopyridine oxazolidinones as potent and selective tankyrase inhibitors. ACS Med Chem Lett, 4, 2013
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5VD6
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![BU of 5vd6 by Molmil](/molmil-images/mine/5vd6) | Crystal structure of a GNAT superfamily acetyltransferase PA4794 in complex with bisubstrate analog 6 | Descriptor: | (3R,5S,9R,23S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-23-({[(phenylacetyl)amino]acetyl}amino)-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatetracosan-24-oic acid 3,5-dioxide (non-preferred name), SULFATE ION, acetyltransferase PA4794 | Authors: | Majorek, K.A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2017-04-01 | Release date: | 2017-07-26 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Generating enzyme and radical-mediated bisubstrates as tools for investigating Gcn5-related N-acetyltransferases. FEBS Lett., 591, 2017
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4GUM
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![BU of 4gum by Molmil](/molmil-images/mine/4gum) | Cystal structure of locked-trimer of human MIF | Descriptor: | CHLORIDE ION, Macrophage migration inhibitory factor | Authors: | Fan, C, Lolis, E. | Deposit date: | 2012-08-29 | Release date: | 2013-07-03 | Last modified: | 2020-11-18 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | MIF intersubunit disulfide mutant antagonist supports activation of CD74 by endogenous MIF trimer at physiologic concentrations. Proc.Natl.Acad.Sci.USA, 110, 2013
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4P0H
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4OJJ
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![BU of 4ojj by Molmil](/molmil-images/mine/4ojj) | Structure of C-terminal domain from S. cerevisiae Pat1 decapping activator (Space group : P212121) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, DNA topoisomerase 2-associated protein PAT1, ... | Authors: | Fourati-Kammoun, Z, Kolesnikova, O, Back, R, Keller, J, Lazar, N, Gaudon-Plesse, C, Seraphin, B, Graille, M. | Deposit date: | 2014-01-21 | Release date: | 2014-10-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | The C-terminal domain from S. cerevisiae Pat1 displays two conserved regions involved in decapping factor recruitment. Plos One, 9, 2014
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7MN7
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![BU of 7mn7 by Molmil](/molmil-images/mine/7mn7) | PTP1B F225Y in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MN9
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![BU of 7mn9 by Molmil](/molmil-images/mine/7mn9) | PTP1B 1-284 F225Y-R199N | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNA
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![BU of 7mna by Molmil](/molmil-images/mine/7mna) | PTP1B 1-284 F225Y-R199N in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNC
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![BU of 7mnc by Molmil](/molmil-images/mine/7mnc) | PTP1B L204A | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MOU
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![BU of 7mou by Molmil](/molmil-images/mine/7mou) | PTP1B F225Y-R199N-L195R | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-05-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MND
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![BU of 7mnd by Molmil](/molmil-images/mine/7mnd) | PTP1B L204A in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.29 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNF
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![BU of 7mnf by Molmil](/molmil-images/mine/7mnf) | PTP1B P206G in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNE
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![BU of 7mne by Molmil](/molmil-images/mine/7mne) | PTP1B P206G mutation, open state | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MKZ
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![BU of 7mkz by Molmil](/molmil-images/mine/7mkz) | PTP1B F225Y mutant, open state | Descriptor: | CHLORIDE ION, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-27 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MNB
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![BU of 7mnb by Molmil](/molmil-images/mine/7mnb) | PTP1B F225Y-R199N-L195R in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-04-30 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MOW
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![BU of 7mow by Molmil](/molmil-images/mine/7mow) | PTP1B F225I in complex with TCS401 | Descriptor: | 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-05-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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7MOV
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![BU of 7mov by Molmil](/molmil-images/mine/7mov) | PTP1B 1-301 F225Y-R199N mutations | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ... | Authors: | Torgeson, K.R, Page, R, Peti, W. | Deposit date: | 2021-05-03 | Release date: | 2022-05-18 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Conserved conformational dynamics determine enzyme activity. Sci Adv, 8, 2022
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4PKZ
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1JNJ
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![BU of 1jnj by Molmil](/molmil-images/mine/1jnj) | NMR solution structure of the human beta2-microglobulin | Descriptor: | beta2-microglobulin | Authors: | Verdone, G, Corazza, A, Viglino, P, Pettirossi, F, Giorgetti, S, Mangione, P, Andreola, A, Stoppini, M, Bellotti, V, Esposito, G. | Deposit date: | 2001-07-24 | Release date: | 2002-02-27 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | The solution structure of human beta2-microglobulin reveals the prodromes of its amyloid transition. Protein Sci., 11, 2002
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4N4T
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4HGT
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![BU of 4hgt by Molmil](/molmil-images/mine/4hgt) | Crystal structure of ck1d with compound 13 | Descriptor: | 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform delta | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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4HGL
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![BU of 4hgl by Molmil](/molmil-images/mine/4hgl) | Crystal structure of ck1g3 with compound 1 | Descriptor: | 2-[5-methoxy-2-(quinolin-3-yl)pyrimidin-4-yl]-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one, Casein kinase I isoform gamma-3, SULFATE ION | Authors: | Huang, X. | Deposit date: | 2012-10-08 | Release date: | 2012-11-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design of Potent and Selective CK1 gamma Inhibitors. ACS Med Chem Lett, 3, 2012
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1TAL
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![BU of 1tal by Molmil](/molmil-images/mine/1tal) | ALPHA-LYTIC PROTEASE AT 120 K (SINGLE STRUCTURE MODEL) | Descriptor: | ALPHA-LYTIC PROTEASE, SULFATE ION, TRIS(HYDROXYETHYL)AMINOMETHANE | Authors: | Rader, S.D, Agard, D.A. | Deposit date: | 1996-10-30 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Conformational substates in enzyme mechanism: the 120 K structure of alpha-lytic protease at 1.5 A resolution. Protein Sci., 6, 1997
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