3QUB
 
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, glu47ala mutant complexed with sulfate | | Descriptor: | INORGANIC PYROPHOSPHATASE, SULFATE ION | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-23 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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3QX7
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron complexed with phosphate, a closed cap conformation | | Descriptor: | INORGANIC PYROPHOSPHATASE, MAGNESIUM ION, PHOSPHATE ION | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-03-01 | | Release date: | 2011-04-27 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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4OV6
 | | Crystal structure of PCSK9(53-451) with Adnectin | | Descriptor: | 1,2-ETHANEDIOL, Adnectin, Proprotein convertase subtilisin/kexin type 9, ... | | Authors: | Khan, J.A. | | Deposit date: | 2014-02-20 | | Release date: | 2014-07-02 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Pharmacologic Profile of the Adnectin BMS-962476, a Small Protein Biologic Alternative to PCSK9 Antibodies for Low-Density Lipoprotein Lowering.
J.Pharmacol.Exp.Ther., 350, 2014
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3QUQ
 | | Crystal structure of pyrophosphatase from bacteroides thetaiotaomicron, an open cap conformation | | Descriptor: | CHLORIDE ION, FORMIC ACID, INORGANIC PYROPHOSPHATASE, ... | | Authors: | Patskovsky, Y, Huang, H, Toro, R, Gerlt, J.A, Burley, S.K, Dunaway-Mariano, D, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC), Enzyme Function Initiative (EFI) | | Deposit date: | 2011-02-24 | | Release date: | 2011-04-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Divergence of Structure and Function in the Haloacid Dehalogenase Enzyme Superfamily: Bacteroides thetaiotaomicron BT2127 Is an Inorganic Pyrophosphatase.
Biochemistry, 50, 2011
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4DHD
 | | Crystal structure of isoprenoid synthase A3MSH1 (TARGET EFI-501992) from Pyrobaculum calidifontis | | Descriptor: | ACETATE ION, CHLORIDE ION, PHOSPHATE ION, ... | | Authors: | Patskovsky, Y, Toro, R, Bhosle, R, Hillerich, B, Seidel, R.D, Washington, E, Scott Glenn, A, Chowdhury, S, Evans, B, Hammonds, J, Zencheck, W.D, Imker, H.J, Poulter, C.D, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | | Deposit date: | 2012-01-27 | | Release date: | 2012-02-08 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Prediction of function for the polyprenyl transferase subgroup in the isoprenoid synthase superfamily.
Proc.Natl.Acad.Sci.USA, 110, 2013
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1JKP
 | | Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*CP*TP*CP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*GP*AP*GP*AP*AP*GP*A)-3', DNA-INVERTASE HIN | | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | | Deposit date: | 2001-07-13 | | Release date: | 2002-02-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Testing water-mediated DNA recognition by the Hin recombinase.
EMBO J., 21, 2002
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1JQE
 | | Crystal Structure Analysis of Human Histamine Methyltransferase (Ile105 Polymorphic Variant) Complexed with AdoHcy and Antimalarial Drug Quinacrine | | Descriptor: | Histamine N-Methyltransferase, QUINACRINE, S-ADENOSYL-L-HOMOCYSTEINE, ... | | Authors: | Horton, J.R, Sawada, K, Nishibori, M, Zhang, X, Cheng, X. | | Deposit date: | 2001-08-06 | | Release date: | 2002-08-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Two polymorphic forms of human histamine methyltransferase: structural, thermal, and kinetic comparisons.
Structure, 9, 2001
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1K2X
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1JKQ
 | | Testing the Water-Mediated HIN Recombinase DNA Recognition by Systematic Mutations | | Descriptor: | 5'-D(*AP*TP*CP*TP*TP*AP*TP*AP*AP*AP*AP*AP*AP*C)-3', 5'-D(*TP*GP*TP*TP*TP*TP*TP*TP*AP*TP*AP*AP*GP*A)-3', DNA-INVERTASE HIN | | Authors: | Chiu, T.K, Sohn, C, Johnson, R.C, Dickerson, R.E. | | Deposit date: | 2001-07-13 | | Release date: | 2002-02-22 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Testing water-mediated DNA recognition by the Hin recombinase.
EMBO J., 21, 2002
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4EU9
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4EUA
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1KB0
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1KNG
 | | Crystal structure of CcmG reducing oxidoreductase at 1.14 A | | Descriptor: | THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY | | Authors: | Edeling, M.A, Guddat, L.W, Fabianek, R.A, Thony-Meyer, L, Martin, J.L. | | Deposit date: | 2001-12-18 | | Release date: | 2002-07-17 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Structure of CcmG/DsbE at 1.14 A resolution: high-fidelity reducing activity in an indiscriminately oxidizing environment
Structure, 10, 2002
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4CRS
 | | Human Protein Kinase N2 (PKN2, PRKCL2) in complex with ATPgammaS | | Descriptor: | MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, SERINE/THREONINE-PROTEIN KINASE N2, ... | | Authors: | Mathea, S, Elkins, J.M, Shrestha, L, Szklarz, M, Tallant, C, Newman, J.A, Cooper, C.D, Shrestha, B, Tumber, A, Cocking, R, Salah, E, von Delft, F, Arrowsmith, C, Edwards, A.M, Bountra, C, Knapp, S. | | Deposit date: | 2014-02-28 | | Release date: | 2014-03-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure of Pkn2
To be Published
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1LEE
 | | CRYSTAL STRUCTURE OF PLASMEPSIN FROM P. FALCIPARUM IN COMPLEX WITH INHIBITOR RS367 | | Descriptor: | 4-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-09 | | Release date: | 2002-10-09 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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4EU7
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4EU4
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1L6X
 | | FC FRAGMENT OF RITUXIMAB BOUND TO A MINIMIZED VERSION OF THE B-DOMAIN FROM PROTEIN A CALLED Z34C | | Descriptor: | IMMUNOGLOBULIN GAMMA-1 HEAVY CHAIN CONSTANT REGION, Minimized B-domain of Protein A Z34C, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Idusogie, E.E, Presta, L.G, Santoro-Gazzano, H, Totpal, K, Wong, P.Y, Ultsch, M, Meng, Y.G, Mullkerrin, M.G. | | Deposit date: | 2002-03-14 | | Release date: | 2002-04-10 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Mapping of the C1q binding site on rituxan, a chimeric antibody with a human IgG1 Fc.
J.Immunol., 164, 2000
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1LQG
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE COMPLEX WITH URACIL-DNA GLYCOSYLASE INHIBITOR PROTEIN | | Descriptor: | URACIL-DNA GLYCOSYLASE, URACIL-DNA GLYCOSYLASE INHIBITOR | | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Handa, P, Varshney, U, Vijayan, M. | | Deposit date: | 2002-05-10 | | Release date: | 2002-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
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1KI4
 | | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-BROMOTHIENYLDEOXYURIDINE | | Descriptor: | 5-BROMOTHIENYLDEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | | Deposit date: | 1998-05-18 | | Release date: | 1998-12-02 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands.
Proteins, 32, 1998
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1LQJ
 | | ESCHERICHIA COLI URACIL-DNA GLYCOSYLASE | | Descriptor: | URACIL-DNA GLYCOSYLASE | | Authors: | Saikrishnan, K, Sagar, M.B, Ravishankar, R, Roy, S, Purnapatre, K, Varshney, U, Vijayan, M. | | Deposit date: | 2002-05-10 | | Release date: | 2002-11-10 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Domain closure and action of uracil DNA glycosylase (UDG): structures of new crystal forms containing the Escherichia coli enzyme and a comparative study of the known structures involving UDG.
Acta Crystallogr.,Sect.D, 58, 2002
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4D0R
 | | Mtb InhA complex with Pyradizinone compound 1 | | Descriptor: | 4-(4-chlorophenoxy)-6-oxo-1-phenyl-1,6-dihydropyridazine-3-carboxamide, ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Read, J.A, Gingell, H, Madhavapeddi, P, Lange, S. | | Deposit date: | 2014-04-29 | | Release date: | 2015-05-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Pyridazinones: A Novel Scaffold with Excellent Physicochemical Properties and Safety Profile for a Clinically Validated Target of Mycobacterium Tuberculosis
To be Published
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1LQC
 | | LAC REPRESSOR HEADPIECE (RESIDUES 1-56), NMR, 32 STRUCTURES | | Descriptor: | LAC REPRESSOR | | Authors: | Slijper, M, Bonvin, A.M.J.J, Boelens, R, Kaptein, R. | | Deposit date: | 1996-08-13 | | Release date: | 1997-02-12 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Refined structure of lac repressor headpiece (1-56) determined by relaxation matrix calculations from 2D and 3D NOE data: change of tertiary structure upon binding to the lac operator.
J.Mol.Biol., 259, 1996
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4CK0
 | | Crystal structure of the integral membrane diacylglycerol kinase - form 2 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, DIACYLGLYCEROL KINASE, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Li, D, Lyons, J.A, Vogeley, L, Aragao, D, Caffrey, M. | | Deposit date: | 2013-12-23 | | Release date: | 2015-01-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.924 Å) | | Cite: | Crystal Structure of the Integral Membrane Diacylglycerol Kinase with Zn-Amppcp Bound and its Catalytic Mechanism
To be Published
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1LF2
 | | CRYSTAL STRUCTURE OF PLASMEPSIN II FROM P FALCIPARUM IN COMPLEX WITH INHIBITOR RS370 | | Descriptor: | 3-AMINO-N-{4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-1-ISOBUTYL-5-PHENYL-PENTYL}-BENZAMIDE, Plasmepsin 2 | | Authors: | Asojo, O.A, Afonina, E, Gulnik, S.V, Yu, B, Erickson, J.W, Randad, R, Mehadjed, D, Silva, A.M. | | Deposit date: | 2002-04-10 | | Release date: | 2002-10-10 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures of Ser205 mutant plasmepsin II from Plasmodium falciparum at 1.8 A in complex with the inhibitors rs367 and rs370.
Acta Crystallogr.,Sect.D, 58, 2002
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