6WUW
 
 | | Crystal structure of Human Serum Albumin complex with JMS-053 | | Descriptor: | 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ... | | Authors: | Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-05 | | Release date: | 2020-05-20 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
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7MCI
 | | MoFe protein from Azotobacter vinelandii with a sulfur-replenished cofactor | | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, CALCIUM ION, FE(8)-S(7) CLUSTER, ... | | Authors: | Kang, W, Lee, C, Hu, Y, Ribbe, M.W. | | Deposit date: | 2021-04-02 | | Release date: | 2022-05-18 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Evidence of substrate binding and product release via belt-sulfur mobilization of the nitrogenase cofactor
Nat Catal, 5, 2022
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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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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
 | | 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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5XHZ
 | | Crystal Structure Analysis of CIN85-SH3B in complex with ARAP1-P2 | | Descriptor: | ACETATE ION, Arf-GAP with Rho-GAP domain, ANK repeat and PH domain-containing protein 1, ... | | Authors: | Liu, W, Yang, W. | | Deposit date: | 2017-04-25 | | Release date: | 2018-04-11 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.319 Å) | | Cite: | Biochemical and Structural Studies of the Interaction between ARAP1 and CIN85.
Biochemistry, 57, 2018
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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
 | | 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
 | | 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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6WV9
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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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5X7L
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6WWA
 | | Crystal structure of human SHLD2-SHLD3-REV7 complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 2,Shieldin complex subunit 3 chimera | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2020-05-08 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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2YYM
 | | Crystal structure of the mutant of HpaB (T198I, A276G, and R466H) complexed with FAD and 4-hydroxyphenylacetate | | Descriptor: | 4-HYDROXYPHENYLACETATE, 4-hydroxyphenylacetate-3-hydroxylase, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Kim, S.-H, Hisano, T, Takeda, K, Iwasaki, W, Ebihara, A, Miki, K. | | Deposit date: | 2007-04-30 | | Release date: | 2007-09-04 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal Structure of the Oxygenase Component (HpaB) of the 4-Hydroxyphenylacetate 3-Monooxygenase from Thermus thermophilus HB8
J.Biol.Chem., 282, 2007
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6WVA
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1B80
 | | REC. LIGNIN PEROXIDASE H8 OXIDATIVELY PROCESSED | | Descriptor: | CALCIUM ION, PROTEIN (RECOMBINANT LIGNIN PEROXIDASE H8), PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Blodig, W, Smith, A.T, Doyle, W.A, Piontek, K. | | Deposit date: | 1999-02-03 | | Release date: | 1999-02-09 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystal structures of pristine and oxidatively processed lignin peroxidase expressed in Escherichia coli and of the W171F variant that eliminates the redox active tryptophan 171. Implications for the reaction mechanism.
J.Mol.Biol., 305, 2001
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6WW9
 | | Crystal structure of human REV7(R124A)-SHLD3(35-58) complex | | Descriptor: | Mitotic spindle assembly checkpoint protein MAD2B, Shieldin complex subunit 3 | | Authors: | Xie, W, Patel, D.J. | | Deposit date: | 2020-05-08 | | Release date: | 2021-03-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular mechanisms of assembly and TRIP13-mediated remodeling of the human Shieldin complex.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7XTJ
 | | Crystal structure of E88A mutant of GH3 beta-xylosidase from Aspergillus niger (AnBX) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Kaenying, W, Kongsaeree, P.T, Tagami, T. | | Deposit date: | 2022-05-17 | | Release date: | 2023-03-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure and identification of amino acid residues for catalysis and binding of GH3 AnBX beta-xylosidase from Aspergillus niger.
Appl.Microbiol.Biotechnol., 107, 2023
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3LO2
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5BUI
 | | ERK2 complexed with 2-pyridiyl tetrahydroazaindazole | | Descriptor: | 3-(4-fluorophenyl)-5-(pyridin-2-yl)-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridine, Mitogen-activated protein kinase 1, NICKEL (II) ION | | Authors: | Bellamacina, C.R, Shu, W, Bussiere, D.E, Bagdanoff, J.T. | | Deposit date: | 2015-06-03 | | Release date: | 2015-07-15 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Ligand efficient tetrahydro-pyrazolopyridines as inhibitors of ERK2 kinase.
Bioorg.Med.Chem.Lett., 25, 2015
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