5ZHJ
 
 | | Crystal structure of TrmD from Mycobacterium tuberculosis in complex with S-adenosyl homocysteine (SAH) | | Descriptor: | GLYCEROL, S-ADENOSYL-L-HOMOCYSTEINE, tRNA (guanine-N(1)-)-methyltransferase | | Authors: | Zhong, W, Pasunooti, K.K, Balamkundu, S, Wong, Y.W, Nah, Q, Liu, C.F, Lescar, J, Dedon, P.C. | | Deposit date: | 2018-03-13 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Thienopyrimidinone Derivatives That Inhibit Bacterial tRNA (Guanine37-N1)-Methyltransferase (TrmD) by Restructuring the Active Site with a Tyrosine-Flipping Mechanism.
J.Med.Chem., 62, 2019
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2OEN
 | | Structural mechanism for the fine-tuning of CcpA function by the small molecule effectors glucose-6-phosphate and fructose-1,6-bisphosphate | | Descriptor: | Catabolite control protein, Phosphocarrier protein HPr | | Authors: | Schumacher, M.A, Seidel, G, Hillen, W, Brennan, R.G. | | Deposit date: | 2006-12-30 | | Release date: | 2007-05-01 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Structural Mechanism for the Fine-tuning of CcpA Function by The Small Molecule Effectors Glucose 6-Phosphate and Fructose 1,6-Bisphosphate.
J.Mol.Biol., 368, 2007
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6BR1
 | | Tubulin-RB3_SLD-TTL in complex with heterocyclic pyrimidine compound 4a | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine, CALCIUM ION, ... | | Authors: | Kumar, G, Wang, Y, Li, W, White, S.W. | | Deposit date: | 2017-11-29 | | Release date: | 2018-06-27 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Heterocyclic-Fused Pyrimidines as Novel Tubulin Polymerization Inhibitors Targeting the Colchicine Binding Site: Structural Basis and Antitumor Efficacy.
J. Med. Chem., 61, 2018
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1Z95
 | | Crystal Structure of the Androgen Receptor Ligand-binding Domain W741L Mutant Complex with R-bicalutamide | | Descriptor: | Androgen Receptor, R-BICALUTAMIDE, SULFATE ION | | Authors: | Bohl, C.E, Gao, W, Miller, D.D, Bell, C.E, Dalton, J.T. | | Deposit date: | 2005-03-31 | | Release date: | 2005-04-19 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for antagonism and resistance of bicalutamide in prostate cancer.
Proc.Natl.Acad.Sci.Usa, 102, 2005
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4KGV
 | | The R state structure of E. coli ATCase with ATP bound | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Aspartate carbamoyltransferase, Aspartate carbamoyltransferase regulatory chain, ... | | Authors: | Cockrell, G.M, Zheng, Y, Guo, W, Peterson, A.W, Kantrowitz, E.R. | | Deposit date: | 2013-04-29 | | Release date: | 2013-11-27 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | New Paradigm for Allosteric Regulation of Escherichia coli Aspartate Transcarbamoylase.
Biochemistry, 52, 2013
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1DQT
 | | THE CRYSTAL STRUCTURE OF MURINE CTLA4 (CD152) | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, CYTOTOXIC T LYMPHOCYTE ASSOCIATED ANTIGEN 4 | | Authors: | Ostrov, D.A, Shi, W, Schwartz, J.C, Almo, S.C, Nathenson, S.G. | | Deposit date: | 2000-01-05 | | Release date: | 2000-10-27 | | Last modified: | 2018-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of murine CTLA-4 and its role in modulating T cell responsiveness.
Science, 290, 2000
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1ALU
 | | HUMAN INTERLEUKIN-6 | | Descriptor: | INTERLEUKIN-6, L(+)-TARTARIC ACID, SULFATE ION | | Authors: | Somers, W.S, Stahl, M, Seehra, J.S. | | Deposit date: | 1997-06-03 | | Release date: | 1998-06-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | 1.9 A crystal structure of interleukin 6: implications for a novel mode of receptor dimerization and signaling.
EMBO J., 16, 1997
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1Z3Z
 | | The crystal structure of a DGD mutant: Q52A | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Fogle, E.J, Liu, W, Toney, M.D. | | Deposit date: | 2005-03-14 | | Release date: | 2006-01-03 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of q52 in catalysis of decarboxylation and transamination in dialkylglycine decarboxylase.
Biochemistry, 44, 2005
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1DS2
 | | CRYSTAL STRUCTURE OF SGPB:OMTKY3-COO-LEU18I | | Descriptor: | OVOMUCOID, PROTEINASE B (SGPB) | | Authors: | Bateman, K.S, Huang, K, Anderson, S, Lu, W, Qasim, M.A, Laskowski Jr, M, James, M.N.G. | | Deposit date: | 2000-01-06 | | Release date: | 2001-01-31 | | Last modified: | 2021-11-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Contribution of peptide bonds to inhibitor-protease binding: crystal structures of the turkey ovomucoid third domain backbone variants OMTKY3-Pro18I and OMTKY3-psi[COO]-Leu18I in complex with Streptomyces griseus proteinase B (SGPB) and the structure of the free inhibitor, OMTKY-3-psi[CH2NH2+]-Asp19I
J.Mol.Biol., 305, 2001
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4GX0
 | | Crystal structure of the GsuK L97D mutant | | Descriptor: | CALCIUM ION, PHOSPHATE ION, POTASSIUM ION, ... | | Authors: | Kong, C, Zeng, W, Ye, S, Chen, L, Sauer, D.B, Lam, Y, Derebe, M.G, Jiang, Y. | | Deposit date: | 2012-09-03 | | Release date: | 2012-12-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.601 Å) | | Cite: | Distinct gating mechanisms revealed by the structures of a multi-ligand gated K(+) channel.
elife, 1, 2012
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2OK5
 | | Human Complement factor B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement factor B, ... | | Authors: | Milder, F.J, Gomes, L, Schouten, A, Janssen, B.J.C, Huizinga, E.G, Romijn, R.A, Hemrika, W, Roos, A, Daha, M.R, Gros, P. | | Deposit date: | 2007-01-16 | | Release date: | 2007-02-27 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Factor B structure provides insights into activation of the central protease of the complement system.
Nat.Struct.Mol.Biol., 14, 2007
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2HXT
 | | Crystal structure of L-Fuconate Dehydratase from Xanthomonas campestris liganded with Mg++ and D-erythronohydroxamate | | Descriptor: | (2R,3R)-N,2,3,4-TETRAHYDROXYBUTANAMIDE, L-fuconate dehydratase, MAGNESIUM ION | | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Rakus, J.F, Gerlt, J.A, Almo, S.C. | | Deposit date: | 2006-08-03 | | Release date: | 2006-12-19 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evolution of Enzymatic Activities in the Enolase Superfamily: l-Fuconate Dehydratase from Xanthomonas campestris.
Biochemistry, 45, 2006
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1DUW
 | | STRUCTURE OF NONAHEME CYTOCHROME C | | Descriptor: | GLYCEROL, HEME C, NONAHEME CYTOCHROME C | | Authors: | Umhau, S, Fritz, G, Diederichs, K, Breed, J, Kroneck, P.M, Welte, W. | | Deposit date: | 2000-01-19 | | Release date: | 2001-03-21 | | Last modified: | 2021-03-03 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Three-dimensional structure of the nonaheme cytochrome c from Desulfovibrio desulfuricans Essex in the Fe(III) state at 1.89 A resolution.
Biochemistry, 40, 2001
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1DTD
 | | CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN THE LEECH CARBOXYPEPTIDASE INHIBITOR AND THE HUMAN CARBOXYPEPTIDASE A2 (LCI-CPA2) | | Descriptor: | CARBOXYPEPTIDASE A2, GLUTAMIC ACID, METALLOCARBOXYPEPTIDASE INHIBITOR, ... | | Authors: | Reverter, D, Fernandez-Catalan, C, Bode, W, Holak, T.A, Aviles, F.X. | | Deposit date: | 2000-01-12 | | Release date: | 2000-07-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structure of a novel leech carboxypeptidase inhibitor determined free in solution and in complex with human carboxypeptidase A2.
Nat.Struct.Biol., 7, 2000
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2OCP
 | | Crystal Structure of Human Deoxyguanosine Kinase | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Deoxyguanosine kinase | | Authors: | Johansson, K, Ramaswamy, S, Ljungkrantz, C, Knecht, W, Piskur, J, Munch-Petersen, B, Eriksson, S, Eklund, H. | | Deposit date: | 2006-12-21 | | Release date: | 2007-01-16 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural Basis for Substrate Specificities of Cellular Deoxyribonucleoside Kinases.
Nat.Struct.Biol., 8, 2001
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1T9K
 | | X-ray crystal structure of aIF-2B alpha subunit-related translation initiation factor [Thermotoga maritima] | | Descriptor: | CHLORIDE ION, Probable methylthioribose-1-phosphate isomerase, SULFATE ION | | Authors: | Osipiuk, J, Skarina, T, Savchenko, A, Edwards, A, Cymborowski, M, Minor, W, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2004-05-17 | | Release date: | 2004-06-08 | | Last modified: | 2022-04-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | X-ray crystal structure of aIF-2B translation initiation factor from Thermotoga maritima
To be Published
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1TB6
 | | 2.5A Crystal Structure of the Antithrombin-Thrombin-Heparin Ternary Complex | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-sulfonato-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-alpha-D-glucopyranose-(1-4)-2,3,6-tri-O-methyl-beta-D-glucopyranose-(1-4)-2,3-di-O-methyl-6-O-sulfonato-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-alpha-L-idopyranuronic acid-(1-4)-methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Li, W, Johnson, D.J, Esmon, C.T, Huntington, J.A. | | Deposit date: | 2004-05-19 | | Release date: | 2004-08-17 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure of the antithrombin-thrombin-heparin ternary complex reveals the antithrombotic mechanism of heparin.
Nat.Struct.Mol.Biol., 11, 2004
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4HE6
 | | Crystal structure of the C-terminal domain of Geobacillus thermoleovorans putative U32 peptidase | | Descriptor: | ACETATE ION, Peptidase family U32, UNKNOWN ATOM OR ION | | Authors: | Trillo-Muyo, S, Jasilionis, A, Domagalski, M.J, Chruszcz, M, Minor, W, Kuisiene, N, Arolas, J.L, Sola, M, Gomis-Ruth, F.X. | | Deposit date: | 2012-10-03 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Ultratight crystal packing of a 10 kDa protein.
Acta Crystallogr.,Sect.D, 69, 2013
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2OGP
 | | Solution structure of the second PDZ domain of Par-3 | | Descriptor: | Partitioning-defective 3 homolog | | Authors: | Feng, W, Wu, H, Chen, J, Chan, L.-N, Zhang, M. | | Deposit date: | 2007-01-07 | | Release date: | 2007-12-25 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | PDZ domains of par-3 as potential phosphoinositide signaling integrators
Mol.Cell, 28, 2007
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1DX5
 | | Crystal structure of the thrombin-thrombomodulin complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FORMIC ACID, ... | | Authors: | Fuentes-Prior, P, Iwanaga, Y, Huber, R, Pagila, R, Rumennik, G, Seto, M, Morser, J, Light, D.R, Bode, W. | | Deposit date: | 1999-12-20 | | Release date: | 2000-04-10 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural Basis for the Anticoagulant Activity of the Thrombin-Thrombomodulin Complex
Nature, 404, 2000
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1TG8
 | | The structure of Dengue virus E glycoprotein | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, envelope glycoprotein | | Authors: | Zhang, Y, Zhang, W, Ogata, S, Clements, D, Strauss, J.H, Baker, T.S, Rossmann, M.G. | | Deposit date: | 2004-05-28 | | Release date: | 2004-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Conformational changes of the flavivirus e glycoprotein
Structure, 12, 2004
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6BPI
 | | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates | | Descriptor: | 1,2-ETHANEDIOL, Histone-lysine N-methyltransferase SETDB1, MLY-SER-THR-E2G, ... | | Authors: | MADER, P, Mendoza-Sanchez, R, DONG, A, DOBROVETSKY, E, IQBAL, A, CORLESS, V, TEMPEL, W, LIEW, S.K, SMIL, D, DELA SENA, C.C, KENNEDY, S, DIAZ, D.B, SCHAPIRA, M, VEDADI, M, BROWN, P.J, Santhakumar, V, FRYE, S, Bountra, C, Edwards, A.M, YUDIN, A.K, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-27 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Crystal structure of SETDB1 Tudor domain with aryl triazole fragment peptide conjugates
to be published
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1TGO
 | | THERMOSTABLE B TYPE DNA POLYMERASE FROM THERMOCOCCUS GORGONARIUS | | Descriptor: | PROTEIN (THERMOSTABLE B DNA POLYMERASE) | | Authors: | Hopfner, K.-P, Eichinger, A, Engh, R.A, Laue, F, Ankenbauer, W, Huber, R, Angerer, B. | | Deposit date: | 1999-02-23 | | Release date: | 1999-03-22 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal structure of a thermostable type B DNA polymerase from Thermococcus gorgonarius.
Proc.Natl.Acad.Sci.USA, 96, 1999
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6CM2
 | | SAMHD1 HD domain bound to decitabine triphosphate | | Descriptor: | 6-amino-3-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-erythro-pentofuranosyl}-3,4-dihydro-1,3,5-triazin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, GUANOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Oellerich, T, Schneider, C, Thomas, D, Knecht, K.M, Buzovetsky, O, Kaderali, L, Schliemann, C, Bohnenberger, H, Angenendt, L, Hartmann, W, Wardelmann, E, Rothenburger, T, Mohr, S, Scheich, S, Comoglio, F, Wilke, A, Strobel, P, Serve, H, Michaelis, M, Ferreiros, N, Geisslinger, G, Xiong, Y, Keppler, O.T, Cinatl, J. | | Deposit date: | 2018-03-02 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Selective inactivation of hypomethylating agents by SAMHD1 provides a rationale for therapeutic stratification in AML.
Nat Commun, 10, 2019
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6CMP
 | | Closed structure of inactive SHP2 mutant C459E | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Padua, R.A.P, Sun, Y, Marko, I, Pitsawong, W, Kern, D. | | Deposit date: | 2018-03-06 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Mechanism of activating mutations and allosteric drug inhibition of the phosphatase SHP2.
Nat Commun, 9, 2018
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