4APQ
 
 | | Crystal structure of autoreactive-Valpha14-Vbeta6 NKT TCR in complex with CD1d-sulfatide | | Descriptor: | (15Z)-N-((1S,2R,3E)-2-HYDROXY-1-{[(3-O-SULFO-BETA-D-GALACTOPYRANOSYL)OXY]METHYL}HEPTADEC-3-ENYL)TETRACOS-15-ENAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIGEN-PRESENTING GLYCOPROTEIN CD1D1, ... | | Authors: | Clarke, A.J, Le Nours, J, Rossjohn, J. | | Deposit date: | 2012-04-05 | | Release date: | 2013-04-24 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Type-II Natural Killer T Cell Antigen Receptor Mediated Recognition of Cd1D-Sulfatide
To be Published
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1RSC
 | | STRUCTURE OF AN EFFECTOR INDUCED INACTIVATED STATE OF RIBULOSE BISPHOSPHATE CARBOXYLASE(SLASH)OXYGENASE: THE BINARY COMPLEX BETWEEN ENZYME AND XYLULOSE BISPHOSPHATE | | Descriptor: | RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (LARGE CHAIN), RIBULOSE 1,5 BISPHOSPHATE CARBOXYLASE/OXYGENASE (SMALL CHAIN), XYLULOSE-1,5-BISPHOSPHATE | | Authors: | Newman, J, Gutteridge, S. | | Deposit date: | 1994-03-29 | | Release date: | 1995-05-08 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of an effector-induced inactivated state of ribulose 1,5-bisphosphate carboxylase/oxygenase: the binary complex between enzyme and xylulose 1,5-bisphosphate.
Structure, 2, 1994
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4RI0
 | | Serine Protease HtrA3, mutationally inactivated | | Descriptor: | PHOSPHATE ION, Serine protease HTRA3 | | Authors: | Osipiuk, J, Glaza, P, Wenta, T, Lipinska, B, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2014-10-03 | | Release date: | 2014-10-29 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3.272 Å) | | Cite: | Structural and Functional Analysis of Human HtrA3 Protease and Its Subdomains.
Plos One, 10, 2015
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3LKR
 | | Crystal Structure of HLA B*3501 in complex with influenza NP418 epitope from 2009 H1N1 swine origin strain | | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-35 alpha chain, ... | | Authors: | Gras, S, Kedzierski, L, Valkenburg, S.A, Liu, Y.C, Denholm, J, Richards, M, Rimmelzwaan, G.F, Doherty, P.C, Turner, S.J, Rossjohn, J, Kedzierska, K. | | Deposit date: | 2010-01-27 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Cross-reactive CD8+ T-cell immunity between the pandemic H1N1-2009 and H1N1-1918 influenza A viruses.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4RJ3
 | | CDK2 with EGFR inhibitor compound 8 | | Descriptor: | 1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-pyrrolo[3,2-c]pyridin-6-amine, ACETATE ION, Cyclin-dependent kinase 2 | | Authors: | Eigenbrot, C, Yin, J. | | Deposit date: | 2014-10-08 | | Release date: | 2014-11-26 | | Last modified: | 2015-01-14 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Discovery of Selective and Noncovalent Diaminopyrimidine-Based Inhibitors of Epidermal Growth Factor Receptor Containing the T790M Resistance Mutation.
J.Med.Chem., 57, 2014
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1V1R
 | | CROSSTALK BETWEEN COFACTOR BINDING AND THE PHOSPHORYLATION LOOP CONFORMATION IN THE BCKD MACHINE | | Descriptor: | 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT, 2-OXOISOVALERATE DEHYDROGENASE BETA SUBUNIT, CHLORIDE ION, ... | | Authors: | Li, J, Wynn, R.M, Machius, M, Chuang, J.L, Karthikeyan, S, Tomchick, D.R, Chuang, D.T. | | Deposit date: | 2004-04-22 | | Release date: | 2004-06-03 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Cross-Talk between Thiamin Diphosphate Binding and Phosphorylation Loop Conformation in Human Branched-Chain {Alpha}-Keto Acid Decarboxylase/Dehydrogenase
J.Biol.Chem., 279, 2004
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3OSA
 | | Estrogen Receptor | | Descriptor: | 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol, Estrogen receptor | | Authors: | Bruning, J, Parent, A.A, Gil, G, Zhao, M, Nowak, J, Pace, M.C, Smith, C.L, Afonine, P.V, Adams, P.D, Katzenellenbogen, J.A, Nettles, K.W. | | Deposit date: | 2010-09-08 | | Release date: | 2010-11-10 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.296 Å) | | Cite: | Coupling of receptor conformation and ligand orientation determine graded activity.
Nat.Chem.Biol., 6, 2010
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2O8S
 | | X-ray Crystal Structure of Protein AGR_C_984 from Agrobacterium tumefaciens. Northeast Structural Genomics Consortium Target AtR120. | | Descriptor: | AGR_C_984p, SULFATE ION | | Authors: | Seetharaman, J, Forouhar, F, Su, M, Zhao, L, Cunningham, K, Ma, L.-C, Janjua, H, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-12 | | Release date: | 2007-01-30 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structure of the Hypothetical Protein AGR_C_984 from Agrobacterium tumefaciens, Northeast Structural Genomics Target AtR120.
To be Published
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7P2R
 | | Crystal structure of mouse PRMT6 in complex with inhibitor EML980 | | Descriptor: | Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE, methyl 6-[4-[[N-[2-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]carbamimidoyl]amino]butylcarbamoylamino]-4-oxidanyl-naphthalene-2-carboxylate | | Authors: | Bonnefond, L, Cavarelli, J. | | Deposit date: | 2021-07-06 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Turning Nonselective Inhibitors of Type I Protein Arginine Methyltransferases into Potent and Selective Inhibitors of Protein Arginine Methyltransferase 4 through a Deconstruction-Reconstruction and Fragment-Growing Approach.
J.Med.Chem., 65, 2022
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3LPI
 | | Structure of BACE Bound to SCH745132 | | Descriptor: | Beta-secretase 1, L(+)-TARTARIC ACID, N'-{(1S,2S)-1-(3,5-difluorobenzyl)-2-hydroxy-2-[(2R)-4-(phenylsulfonyl)piperazin-2-yl]ethyl}-5-methyl-N,N-dipropylbenzene-1,3-dicarboxamide | | Authors: | Strickland, C, Cumming, J. | | Deposit date: | 2010-02-05 | | Release date: | 2010-04-14 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Piperazine sulfonamide BACE1 inhibitors: design, synthesis, and in vivo characterization.
Bioorg.Med.Chem.Lett., 20, 2010
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1I5I
 | | THE C18S MUTANT OF BOVINE (GAMMA-B)-CRYSTALLIN | | Descriptor: | (GAMMA-B) CRYSTALLIN | | Authors: | Zarutskie, J.A, Asherie, N, Pande, J, Pande, A, Lomakin, J, Lomakin, A, Ogun, O, Stern, L.J, King, J.A, Benedek, G.B. | | Deposit date: | 2001-02-27 | | Release date: | 2001-03-07 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Enhanced crystallization of the Cys18 to Ser mutant of bovine gammaB crystallin.
J.Mol.Biol., 314, 2001
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2O9R
 | | beta-glucosidase B complexed with thiocellobiose | | Descriptor: | Beta-glucosidase B, beta-D-glucopyranose-(1-4)-4-thio-beta-D-glucopyranose | | Authors: | Isorna, P, Polaina, J, Sanz-Aparicio, J. | | Deposit date: | 2006-12-14 | | Release date: | 2007-10-02 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of Paenibacillus polymyxa beta-Glucosidase B Complexes Reveal the Molecular Basis of Substrate Specificity and Give New Insights into the Catalytic Machinery of Family I Glycosidases
J.Mol.Biol., 371, 2007
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6BIQ
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7OZX
 | | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone | | Descriptor: | (azepan-1-yl)(2,6-difluorophenyl)methanone, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2021-06-29 | | Release date: | 2022-05-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of human galactokinase 1 bound with azepan-1-yl(2,6-difluorophenyl)methanone
To Be Published
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2OBK
 | | X-Ray structure of the putative Se binding protein from Pseudomonas fluorescens. Northeast Structural Genomics Consortium target PlR6. | | Descriptor: | SelT/selW/selH selenoprotein domain | | Authors: | Kuzin, A.P, Su, M, Seetharaman, J, Chen, C.X, Fang, Y, Cunningham, K, Ma, L.C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-12-19 | | Release date: | 2007-01-02 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | X-Ray structure of the putative Se binding protein from Pseudomonas fluorescens
To be Published
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1H4W
 | | Structure of human trypsin IV (brain trypsin) | | Descriptor: | BENZAMIDINE, CALCIUM ION, TRYPSIN IVA | | Authors: | Katona, G, Berglund, G.I, Hajdu, J, Graf, L, Szilagyi, L. | | Deposit date: | 2001-05-15 | | Release date: | 2002-02-11 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure reveals basis for the inhibitor resistance of human brain trypsin.
J. Mol. Biol., 315, 2002
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4E50
 | | Calmodulin and Ng peptide complex | | Descriptor: | Calmodulin, Linker, IQ motif of Neurogranin | | Authors: | Kumar, V, Sivaraman, J. | | Deposit date: | 2012-03-13 | | Release date: | 2013-03-20 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural basis for the interaction of unstructured neuron specific substrates neuromodulin and neurogranin with calmodulin
Sci Rep, 3, 2013
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3DX9
 | | Crystal Structure of the DM1 TCR at 2.75A | | Descriptor: | DM1 T cell receptor alpha chain, DM1 T cell receptor beta chain | | Authors: | Archbold, J.K, Macdonald, W.A, Gras, S, Rossjohn, J. | | Deposit date: | 2008-07-24 | | Release date: | 2009-01-27 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Natural micropolymorphism in human leukocyte antigens provides a basis for genetic control of antigen recognition.
J.Exp.Med., 206, 2009
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3V01
 | | Discovery of Novel Allosteric MEK Inhibitors Possessing Classical and Non-classical Bidentate Ser212 Interactions. | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Dual specificity mitogen-activated protein kinase kinase 1, MAGNESIUM ION, ... | | Authors: | Heald, R, Jackson, P, Savy, P, Jones, M, Gancia, E, Burton, B, Newman, R, Boggs, J, Chan, E, Chan, J, Choo, E, Merchant, M, Ultsch, M, Wiesmann, C, Belvin, M, Price, S. | | Deposit date: | 2011-12-07 | | Release date: | 2012-05-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.705 Å) | | Cite: | Discovery of Novel Allosteric Mitogen-Activated Protein Kinase Kinase (MEK) 1,2 Inhibitors Possessing Bidentate Ser212 Interactions.
J.Med.Chem., 55, 2012
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2POD
 | | Crystal structure of a member of enolase superfamily from Burkholderia pseudomallei K96243 | | Descriptor: | Mandelate racemase / muconate lactonizing enzyme, SODIUM ION | | Authors: | Patskovsky, Y, Bonanno, J, Sauder, J.M, Gilmore, J.M, Iizuka, M, Ozyurt, S, Wasserman, S.R, Smith, D, Gerlt, J, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC) | | Deposit date: | 2007-04-26 | | Release date: | 2007-06-05 | | Last modified: | 2021-02-03 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Crystal Structure of a Member of Enolase Superfamily from Burkholderia Pseudomallei.
To be Published
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2PQ5
 | | Crystal structure of Dual specificity protein phosphatase 13 (DUSP13) | | Descriptor: | Dual specificity protein phosphatase 13 | | Authors: | Ugochukwu, E, Salah, E, Savitsky, P, Barr, A, Pantic, N, Niesen, F, Burgess-Brown, N, Berridge, G, Bunkoczi, G, Uppenberg, J, Pike, A.C.W, Sundstrom, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, von Delft, F, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-05-01 | | Release date: | 2007-05-22 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of Dual specificity protein phosphatase 13 (DUSP13).
To be Published
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6BPS
 | | Crystal structure of cysteine-bound ferrous form of the uncrosslinked F2-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6BPV
 | | Crystal structure of cysteine-bound ferrous form of the matured F2-Tyr157 human cysteine dioxygenase | | Descriptor: | CYSTEINE, Cysteine dioxygenase type 1, FE (II) ION, ... | | Authors: | Liu, A, Li, J, Shin, I. | | Deposit date: | 2017-11-26 | | Release date: | 2018-07-04 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Cleavage of a carbon-fluorine bond by an engineered cysteine dioxygenase.
Nat. Chem. Biol., 14, 2018
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6BHI
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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6BO0
 | | MdbA protein, a thiol-disulfide oxidoreductase from Corynebacterium matruchotii | | Descriptor: | MdbA protein, TETRAETHYLENE GLYCOL | | Authors: | Osipiuk, J, Luong, T.Y, Trigar, R, Ton-That, H, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2017-11-17 | | Release date: | 2017-12-13 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structural Basis of a Thiol-Disulfide Oxidoreductase in the Hedgehog-Forming Actinobacterium Corynebacterium matruchotii.
J. Bacteriol., 200, 2018
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