1G48
 
 | | CARBONIC ANHYDRASE II (F131V) COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,6-DIFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,6-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-26 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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1G54
 | | CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3,4,5,6-PENTAFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-30 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Contribution of Flourine to Protein-ligand Affinity in the Binding of Flouroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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2XIZ
 | | Protein kinase Pim-1 in complex with fragment-3 from crystallographic fragment screen | | Descriptor: | (E)-PYRIDIN-4-YL-ACRYLIC ACID, PROTO-ONCOGENE SERINE/THREONINE PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.21 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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1Y8N
 | | Crystal structure of the PDK3-L2 complex | | Descriptor: | DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, POTASSIUM ION, ... | | Authors: | Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2004-12-13 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
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1G52
 | | CARBONIC ANHYDRASE II COMPLEXED WITH 4-(AMINOSULFONYL)-N-[(2,3-DIFLUOROPHENYL)METHYL]-BENZAMIDE | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE, ... | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-30 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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1FWS
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP AND CADMIUM | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, CADMIUM ION, PHOSPHATE ION, ... | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-24 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
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2XJ1
 | | Protein kinase Pim-1 in complex with small molecule inibitor | | Descriptor: | (2E)-3-(3-{6-[(TRANS-4-AMINOCYCLOHEXYL)AMINO]PYRAZIN-2-YL}PHENYL)PROP-2-ENOIC ACID, PROTO-ONCOGENE SERINE/THREONINE-PROTEIN KINASE PIM-1 | | Authors: | Schulz, M.N, Fanghanel, J, Schafer, M, Badock, V, Briem, H, Boemer, U, Nguyen, D, Husemann, M, Hillig, R.C. | | Deposit date: | 2010-07-01 | | Release date: | 2011-02-23 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | Crystallographic Fragment Screen Identifies Cinnamic Acid Derivatives as Starting Points for Potent Pim-1 Inhibitors
Acta Crystallogr.,Sect.D, 67, 2011
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1Y8O
 | | Crystal structure of the PDK3-L2 complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DIHYDROLIPOIC ACID, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, ... | | Authors: | Kato, M, Chuang, J.L, Wynn, R.M, Chuang, D.T. | | Deposit date: | 2004-12-13 | | Release date: | 2005-05-24 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Crystal structure of pyruvate dehydrogenase kinase 3 bound to lipoyl domain 2 of human pyruvate dehydrogenase complex.
Embo J., 24, 2005
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2ESX
 | | The structure of the V3 region within gp120 of JR-FL HIV-1 strain (minimized average structure) | | Descriptor: | Envelope polyprotein GP160 | | Authors: | Rosen, O, Sharon, M, Samson, A.O, Quadt, S.R, Anglister, J. | | Deposit date: | 2005-10-27 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular switch for alternative conformations of the HIV-1 V3 region: Implications for phenotype conversion.
Proc.Natl.Acad.Sci.Usa, 13, 2006
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2ESZ
 | | The structure of the V3 region within gp120 of JR-FL HIV-1 strain (ensemble) | | Descriptor: | Envelope polyprotein GP160 | | Authors: | Rosen, O, Sharon, M, Samson, A.O, Quadt, S.R, Anglister, J. | | Deposit date: | 2005-10-27 | | Release date: | 2006-09-19 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Molecular switch for alternative conformations of the HIV-1 V3 region: Implications for phenotype conversion.
Proc.Natl.Acad.Sci.Usa, 13, 2006
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1FWW
 | | AQUIFEX AEOLICUS KDO8P SYNTHASE IN COMPLEX WITH PEP, A5P AND CADMIUM | | Descriptor: | 2-DEHYDRO-3-DEOXYPHOSPHOOCTONATE ALDOLASE, ARABINOSE-5-PHOSPHATE, CADMIUM ION, ... | | Authors: | Duewel, H.S, Radaev, S, Wang, J, Woodard, R.W, Gatti, D.L. | | Deposit date: | 2000-09-24 | | Release date: | 2001-04-21 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Electronic structure of the metal center in the Cd(2+), Zn(2+), and Cu(2+) substituted forms of KDO8P synthase: implications for catalysis.
Biochemistry, 48, 2009
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1GKZ
 | | Branched-chain alpha-ketoacid dehydrogenase kinase (BCK) complxed with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ... | | Authors: | Machius, M, Chuang, J.L, Wynn, R.M, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2001-08-22 | | Release date: | 2001-10-11 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of Rat Bckd Kinase: Nucleotide-Induced Domain Communication in a Mitochondrial Protein Kinase.
Proc.Natl.Acad.Sci.USA, 98, 2001
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1G3Z
 | | CARBONIC ANHYDRASE II (F131V) | | Descriptor: | CARBONIC ANHYDRASE II, MERCURY (II) ION, ZINC ION | | Authors: | Kim, C.-Y, Chang, J.S, Doyon, J.B, Baird Jr, T.T, Fierke, C.A, Jain, A, Christianson, D.W. | | Deposit date: | 2000-10-25 | | Release date: | 2000-11-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Contribution of Fluorine to Protein-Ligand Affinity in the Binding of Fluoroaromatic Inhibitors to Carbonic Anhydrase II
J.Am.Chem.Soc., 122, 2000
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2A5J
 | | Crystal Structure of Human RAB2B | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related protein Rab-2B | | Authors: | Dong, A, Wang, J, Shen, Y, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-30 | | Release date: | 2005-07-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.501 Å) | | Cite: | Crystal structure of human RAB2B
To be Published
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1F42
 | | THE P40 DOMAIN OF HUMAN INTERLEUKIN-12 | | Descriptor: | 5-MERCAPTO-2-NITRO-BENZOIC ACID, INTERLEUKIN-12 BETA CHAIN, alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Yoon, C, Johnston, S.C, Tang, J, Tobin, J.F, Somers, W.S. | | Deposit date: | 2000-06-07 | | Release date: | 2001-06-13 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Charged residues dominate a unique interlocking topography in the heterodimeric cytokine interleukin-12.
EMBO J., 19, 2000
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1MIV
 | | Crystal structure of Bacillus stearothermophilus CCA-adding enzyme | | Descriptor: | MAGNESIUM ION, tRNA CCA-adding enzyme | | Authors: | Li, F, Xiong, Y, Wang, J, Cho, H.D, Weiner, A.M, Steitz, T.A. | | Deposit date: | 2002-08-23 | | Release date: | 2002-12-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of the Bacillus stearothermophilus CCA-adding enzyme and
its complexes with ATP or CTP
Cell(Cambridge,Mass.), 111, 2002
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1HWY
 | | BOVINE GLUTAMATE DEHYDROGENASE COMPLEXED WITH NAD AND 2-OXOGLUTARATE | | Descriptor: | 2-OXOGLUTARIC ACID, GLUTAMATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Smith, T.J, Peterson, P.E, Schmidt, T, Fang, J, Stanley, C.A. | | Deposit date: | 2001-01-10 | | Release date: | 2001-01-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structures of bovine glutamate dehydrogenase complexes elucidate the mechanism of purine regulation.
J.Mol.Biol., 307, 2001
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1VKG
 | | Crystal Structure of Human HDAC8 complexed with CRA-19156 | | Descriptor: | 5-(4-METHYL-BENZOYLAMINO)-BIPHENYL-3,4'-DICARBOXYLIC ACID 3-DIMETHYLAMIDE-4'-HYDROXYAMIDE, Histone deacetylase 8, SODIUM ION, ... | | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | | Deposit date: | 2004-05-13 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases
Structure, 12, 2004
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2LAG
 | | Structure of the 44 kDa complex of interferon-alpha2 with the extracellular part of IFNAR2 obtained by 2D-double difference NOESY | | Descriptor: | Interferon alpha-2, Interferon alpha/beta receptor 2 | | Authors: | Nudelman, I, Akabayov, S.R, Scherf, T, Anglister, J. | | Deposit date: | 2011-03-13 | | Release date: | 2011-08-17 | | Last modified: | 2011-09-28 | | Method: | SOLUTION NMR | | Cite: | Observation of Intermolecular Interactions in Large Protein Complexes by 2D-Double Difference Nuclear Overhauser Enhancement Spectroscopy: Application to the 44 kDa Interferon-Receptor Complex.
J.Am.Chem.Soc., 133, 2011
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1N6U
 | | NMR structure of the interferon-binding ectodomain of the human interferon receptor | | Descriptor: | Interferon-alpha/beta receptor beta chain | | Authors: | Chill, J.H, Quadt, S.R, Levy, R, Schreiber, G, Anglister, J. | | Deposit date: | 2002-11-12 | | Release date: | 2003-07-15 | | Last modified: | 2022-02-23 | | Method: | SOLUTION NMR | | Cite: | The human type I interferon receptor. NMR structure reveals the molecular basis of ligand binding.
Structure, 11, 2003
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1O5E
 | | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, Serine protease hepsin | | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | | Deposit date: | 2003-09-09 | | Release date: | 2004-09-21 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA).
J.Mol.Biol., 344, 2004
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1NSO
 | | Folded monomer of protease from Mason-Pfizer monkey virus | | Descriptor: | Protease 13 kDa | | Authors: | Veverka, V, Bauerova, H, Zabransky, A, Lang, J, Ruml, T, Pichova, I, Hrabal, R. | | Deposit date: | 2003-01-28 | | Release date: | 2003-02-18 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Three-dimensional structure of a monomeric form of a retroviral protease
J.MOL.BIOL., 333, 2003
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1JRW
 | | Solution Structure of dAATAA DNA Bulge | | Descriptor: | 5'-D(*CP*GP*TP*AP*GP*CP*CP*GP*AP*TP*GP*C)-3', 5'-D(*GP*CP*AP*TP*CP*GP*AP*AP*TP*AP*AP*GP*CP*TP*AP*CP*G)-3' | | Authors: | Gollmick, F.A, Lorenz, M, Dornberger, U, von Langen, J, Diekmann, S, Fritzsche, H. | | Deposit date: | 2001-08-15 | | Release date: | 2002-08-28 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of dAATAA and dAAUAA DNA bulges.
Nucleic Acids Res., 30, 2002
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1SFF
 | | Structure of gamma-aminobutyrate aminotransferase complex with aminooxyacetate | | Descriptor: | 1,2-ETHANEDIOL, 4'-DEOXY-4'-ACETYLYAMINO-PYRIDOXAL-5'-PHOSPHATE, 4-aminobutyrate aminotransferase, ... | | Authors: | Liu, W, Peterson, P.E, Carter, R.J, Zhou, X, Langston, J.A, Fisher, A.J, Toney, M.D. | | Deposit date: | 2004-02-19 | | Release date: | 2004-09-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structures of unbound and aminooxyacetate-bound Escherichia coli gamma-aminobutyrate aminotransferase.
Biochemistry, 43, 2004
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1U6V
 | | NMR structure of a V3 (IIIB isolate) peptide bound to 447-52D, a human HIV-1 neutralizing antibody | | Descriptor: | V3 peptide | | Authors: | Rosen, O, Chill, J, Sharon, M, Kessler, N, Mester, B, Zolla-Pazner, S, Anglister, J. | | Deposit date: | 2004-08-02 | | Release date: | 2005-04-05 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Induced fit in HIV-neutralizing antibody complexes: evidence for alternative conformations of the gp120 V3 loop and the molecular basis for broad neutralization.
Biochemistry, 44, 2005
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