2A4D
 
 | | Structure of the human ubiquitin-conjugating enzyme E2 variant 1 (UEV-1) | | Descriptor: | Ubiquitin-conjugating enzyme E2 variant 1 | | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Mackenzie, F, Weigelt, J, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-28 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A human ubiquitin conjugating enzyme (E2)-HECT E3 ligase structure-function screen.
Mol Cell Proteomics, 11, 2012
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3KXO
 | | An orally active inhibitor bound at the active site of HPGDS | | Descriptor: | 6-(3-fluorophenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide, GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, ... | | Authors: | Kiefer, J.R, Day, J.E, Thorarensen, A. | | Deposit date: | 2009-12-03 | | Release date: | 2010-09-01 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery of an oral potent selective inhibitor of hematopoietic prostaglandin D synthase
TO BE PUBLISHED
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3DKM
 | | Crystal structure of the HECTD1 CPH domain | | Descriptor: | E3 ubiquitin-protein ligase HECTD1 | | Authors: | Walker, J.R, Qiu, L, Li, Y, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-25 | | Release date: | 2008-08-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structure of the CPH domain of the E3 ubiquitin-protein ligase HECTD1.
To be Published
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3LIJ
 | | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP | | Descriptor: | CALCIUM ION, Calcium/calmodulin dependent protein kinase with a kinase domain and 4 calmodulin like EF hands, MAGNESIUM ION, ... | | Authors: | Qiu, W, Hutchinson, A, Wernimont, A, Walker, J.R, Sullivan, H, Lin, Y.-H, Mackenzie, F, Kozieradzki, I, Cossar, D, Schapira, M, Senisterra, G, Vedadi, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Bochkarev, A, Hui, R, Amani, M, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-01-25 | | Release date: | 2010-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of full length CpCDPK3 (cgd5_820) in complex with Ca2+ and AMPPNP
To be Published
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1IUL
 | | The structure of cell-free ID.343 from Thermus thermophilus | | Descriptor: | hypothetical protein TT1466 | | Authors: | Wada, T, Shirouzu, M, Park, S.-Y, Tame, J.R, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-05 | | Release date: | 2003-07-15 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of a conserved CoA-binding protein synthesized by a cell-free system.
Acta Crystallogr.,Sect.D, 59, 2003
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3LFC
 | | Human p38 MAP Kinase in Complex with RL99 | | Descriptor: | (4-{5-[({4-[2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}carbamoyl)amino]-3-tert-butyl-1H-pyrazol-1-yl}phenyl)acetic acid, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | | Deposit date: | 2010-01-16 | | Release date: | 2011-04-20 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of novel thiazole-urea compounds which stabalize the inactive conformation of p38 alpha
To be Published
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1IZH
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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3LJZ
 | | Crystal Structure of Human MMP-13 complexed with an Amino-2-indanol compound | | Descriptor: | (2R)-2-[4-(1,3-benzodioxol-5-yl)benzyl]-N~4~-hydroxy-N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ... | | Authors: | Shieh, H.-S, Kiefer, J.R. | | Deposit date: | 2010-01-26 | | Release date: | 2011-02-02 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure analysis reveals the flexibility of the ADAMTS-5 active site.
Protein Sci., 20, 2011
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3NRU
 | | Ligand binding domain of EPHA7 | | Descriptor: | CHLORIDE ION, Ephrin receptor, SULFATE ION | | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Kania, J, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S. | | Deposit date: | 2010-06-30 | | Release date: | 2010-12-08 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Ephrin A7 ligand binding domain
To be Published
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1IT2
 | | Hagfish deoxy hemoglobin | | Descriptor: | PROTOPORPHYRIN IX CONTAINING FE, hemoglobin | | Authors: | Mito, M, Chong, K.T, Park, S.-Y, Tame, J.R. | | Deposit date: | 2002-01-05 | | Release date: | 2002-01-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal structures of deoxy- and carbonmonoxyhemoglobin F1 from the hagfish Eptatretus burgeri
J.Biol.Chem., 277, 2002
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3FBM
 | | D431N Mutant VP2 Protein of Infectious Bursal Disease Virus; Derived T=1 Particles | | Descriptor: | CALCIUM ION, Polyprotein | | Authors: | Irigoyen, N, Garriga, D, Navarro, A, Verdaguer, N, Rodriguez, J.F, Caston, J.R. | | Deposit date: | 2008-11-19 | | Release date: | 2009-01-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Autoproteolytic Activity Derived from the Infectious Bursal Disease Virus Capsid Protein
J.Biol.Chem., 284, 2009
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2CMO
 | | The structure of a mixed glur2 ligand-binding core dimer in complex with (s)-glutamate and the antagonist (s)-ns1209 | | Descriptor: | 2-({[(3E)-5-{4-[(DIMETHYLAMINO)(DIHYDROXY)-LAMBDA~4~-SULFANYL]PHENYL}-8-METHYL-2-OXO-6,7,8,9-TETRAHYDRO-1H-PYRROLO[3,2-H]ISOQUINOLIN-3(2H)-YLIDENE]AMINO}OXY)-4-HYDROXYBUTANOIC ACID, GLUTAMATE RECEPTOR 2, GLUTAMIC ACID, ... | | Authors: | Kasper, C, Pickering, D.S, Mirza, O, Olsen, L, Kristensen, A.S, Greenwood, J.R, Liljefors, T, Schousboe, A, Watjen, F, Gajhede, M, Sigurskjold, B.W, Kastrup, J.S. | | Deposit date: | 2006-05-11 | | Release date: | 2006-06-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | The Structure of a Mixed Glur2 Ligand-Binding Core Dimer in Complex with (S)-Glutamate and the Antagonist (S)-Ns1209.
J.Mol.Biol., 357, 2006
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1IZI
 | | Inhibitor of HIV protease with unusual binding mode potently inhibiting multi-resistant protease mutants | | Descriptor: | CHLORIDE ION, proteinase, {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER | | Authors: | Weber, J, Mesters, J.R, Lepsik, M, Prejdova, J, Svec, M, Sponarova, J, Mlcochova, P, Skalicka, K, Strisovsky, K, Uhlikova, T, Soucek, M, Machala, L, Stankova, M, Vondrasek, J, Klimkait, T, Kraeusslich, H.-G, Hilgenfeld, R, Konvalinka, J. | | Deposit date: | 2002-10-02 | | Release date: | 2002-12-23 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Unusual Binding Mode of an HIV-1 Protease Inhibitor Explains its Potency against Multi-drug-resistant Virus Strains
J.MOL.BIOL., 324, 2002
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3EZV
 | | CDK-2 with indazole inhibitor 9 bound at its active site | | Descriptor: | 4-{3-[7-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl}aniline, Cell division protein kinase 2 | | Authors: | Kiefer, J.R, Day, J.E, Caspers, N.L, Mathis, K.J, Kretzmer, K.K, Weinberg, R.A, Reitz, B.A, Stegeman, R.A, Trujillo, J.I, Huang, W, Thorarensen, A, Xing, L, Wrightstone, A, Christine, L, Compton, R, Li, X. | | Deposit date: | 2008-10-23 | | Release date: | 2009-02-03 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | 2-(6-Phenyl-1H-indazol-3-yl)-1H-benzo[d]imidazoles: Design and synthesis of a potent and isoform selective PKC-zeta inhibitor
Bioorg.Med.Chem.Lett., 19, 2009
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2CG6
 | | Second and third fibronectin type I module pair (crystal form I). | | Descriptor: | HUMAN FIBRONECTIN, SULFATE ION | | Authors: | Rudino-Pinera, E, Ravelli, R.B.G, Sheldrick, G.M, Nanao, M.H, Werner, J.M, Schwarz-Linek, U, Potts, J.R, Garman, E.F. | | Deposit date: | 2006-02-27 | | Release date: | 2007-02-27 | | Last modified: | 2017-08-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The Solution and Crystal Structures of a Module Pair from the Staphylococcus Aureus-Binding Site of Human Fibronectin-A Tale with a Twist.
J.Mol.Biol., 368, 2007
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1TD5
 | | Crystal Structure of the Ligand Binding Domain of E. coli IclR. | | Descriptor: | Acetate operon repressor | | Authors: | Walker, J.R, Evdokimova, L, Zhang, R.-G, Bochkarev, A, Joachimiak, A, Arrowsmith, C, Edwards, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-21 | | Release date: | 2004-07-13 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Analyses of the Ligand Binding Sites of the IclR family of transcriptional regulators
To be Published
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1KGJ
 | | Rat transthyretin (also called prealbumin) complex with 3',5'-dibromoflavone (EMD21388) | | Descriptor: | 6,4'-DIHYDROXY-3-METHYL-3',5'-DIBROMOFLAVONE, TRANSTHYRETIN | | Authors: | Wojtczak, A, Neumann, P, Muziol, T, Cody, V, Luft, J.R, Pangborn, W. | | Deposit date: | 2001-11-27 | | Release date: | 2002-11-27 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Comparison of binding interactions of dibromoflavonoids with transthyretin.
Acta Biochim.Pol., 48, 2001
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2A2N
 | | Crystal Structure of the peptidylprolyl isomerase domain of Human PPWD1 | | Descriptor: | GLYCEROL, peptidylprolyl isomerase domain and WD repeat containing 1 | | Authors: | Walker, J.R, Davis, T.L, Newman, E.M, Mackenzie, F, Sundstrom, M, Arrowsmith, C, Edwards, A, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2005-06-22 | | Release date: | 2005-07-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | The crystal structure of human WD40 repeat-containing peptidylprolyl isomerase (PPWD1).
Febs J., 275, 2008
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3E3H
 | | Crystal structure of the OP hydrolase mutant from Brevundimonas diminuta | | Descriptor: | COBALT (II) ION, DIETHYL 4-METHYLBENZYLPHOSPHONATE, Parathion hydrolase | | Authors: | Li, P, Reeves, T.E, Grimsley, J.K, Wild, J.R. | | Deposit date: | 2008-08-07 | | Release date: | 2008-10-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Balancing the stability and the catalytic specificities of OP hydrolases with enhanced V-agent activities.
Protein Eng.Des.Sel., 21, 2008
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2A8C
 | | Haemophilus influenzae beta-carbonic anhydrase | | Descriptor: | Carbonic anhydrase 2, SULFATE ION, ZINC ION | | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R. | | Deposit date: | 2005-07-07 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
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1IUK
 | | The structure of native ID.343 from Thermus thermophilus | | Descriptor: | hypothetical protein TT1466 | | Authors: | Wada, T, Shirouzu, M, Park, S.-Y, Tame, J.R, Kuramitsu, S, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2002-03-05 | | Release date: | 2003-07-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure of a conserved CoA-binding protein synthesized by a cell-free system.
Acta Crystallogr.,Sect.D, 59, 2003
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3NPL
 | | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant | | Descriptor: | Bifunctional P-450/NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ... | | Authors: | Ener, M, Lee, Y.-T, Goodin, D.B, Winkler, J.R, Gray, H.B, Cheruzel, L. | | Deposit date: | 2010-06-28 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure of Ru(bpy)2(A-Phen)(K97C) P450 BM3 heme domain, a ruthenium modified P450 BM3 mutant
To be Published
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1IY7
 | | Crystal Structure of CPA and sulfamide-based inhibitor complex | | Descriptor: | Carboxypeptidase A, PHENYLALANINE-N-SULFONAMIDE, ZINC ION | | Authors: | Kim, S.J, Woo, J.R, Park, J.D, Kim, D.H, Ryu, S.E. | | Deposit date: | 2002-07-24 | | Release date: | 2003-01-28 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Sulfamide-Based Inhibitors for Carboxypeptidase A. Novel Type Transition State Analogue Inhibitors for Zinc Proteases
J.Med.Chem., 45, 2002
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242D
 | | MAD PHASING STRATEGIES EXPLORED WITH A BROMINATED OLIGONUCLEOTIDE CRYSTAL AT 1.65 A RESOLUTION. | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(CBR)P*G)-3') | | Authors: | Peterson, M.R, Harrop, S.J, McSweeney, S.M, Leonard, G.A, Thompson, A.W, Hunter, W.N, Helliwell, J.R. | | Deposit date: | 1996-06-20 | | Release date: | 1996-09-19 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | MAD Phasing Strategies Explored with a Brominated Oligonucleotide Crystal at 1.65A Resolution.
J.Synchrotron Radiat., 3, 1996
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2A8D
 | | Haemophilus influenzae beta-carbonic anhydrase complexed with bicarbonate | | Descriptor: | BICARBONATE ION, Carbonic anhydrase 2, SULFATE ION, ... | | Authors: | Cronk, J.D, Rowlett, R.S, Zhang, K.Y.J, Tu, C, Endrizzi, J.A, Lee, J, Gareiss, P.C, Preiss, J.R. | | Deposit date: | 2005-07-07 | | Release date: | 2006-04-18 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Identification of a Novel Noncatalytic Bicarbonate Binding Site in Eubacterial beta-Carbonic Anhydrase
Biochemistry, 45, 2006
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