4PHL
 
 | | TbrPDEB1-inhibitor complex | | Descriptor: | 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE, Class 1 phosphodiesterase PDEB1, ETHANOL, ... | | Authors: | Choy, M.S, Bland, N, Peti, W, Page, R. | | Deposit date: | 2014-05-06 | | Release date: | 2015-05-20 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | TbrPDEB1-inhibitor complex
To Be Published
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2J8G
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2GZB
 | | Bauhinia bauhinioides cruzipain inhibitor (BbCI) | | Descriptor: | IODIDE ION, Kunitz-type proteinase inhibitor BbCI | | Authors: | Hansen, D, Macedo-Ribeiro, S, Navarro, M.V.A.S, Garratt, R.C, Oliva, M.L.V. | | Deposit date: | 2006-05-11 | | Release date: | 2007-07-17 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Crystal structure of a novel cysteinless plant Kunitz-type protease inhibitor.
Biochem.Biophys.Res.Commun., 360, 2007
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4Q7Y
 | | Neutrophil serine protease 4 (PRSS57) apo form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Serine protease 57, ... | | Authors: | Eigenbrot, C, Lin, S.J, Dong, K.C. | | Deposit date: | 2014-04-25 | | Release date: | 2014-09-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of neutrophil serine protease 4 reveal an unusual mechanism of substrate recognition by a trypsin-fold protease.
Structure, 22, 2014
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1FID
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5VBZ
 | | Crystal Structure of Small Molecule Disulfide 2C07 Bound to H-Ras M72C GppNHp | | Descriptor: | 1-(4-methoxyphenyl)-N-(3-sulfanylpropyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Gentile, D.R, Jenkins, M.L, Moss, S.M, Burke, J.E, Shokat, K.M. | | Deposit date: | 2017-03-30 | | Release date: | 2017-10-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Ras Binder Induces a Modified Switch-II Pocket in GTP and GDP States.
Cell Chem Biol, 24, 2017
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2ZTI
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2ICE
 | | CRIg bound to C3c | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Complement C3 alpha chain, ... | | Authors: | Wiesmann, C. | | Deposit date: | 2006-09-12 | | Release date: | 2006-11-07 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
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4MV7
 | | Crystal Structure of Biotin Carboxylase form Haemophilus influenzae in Complex with Phosphonoformate | | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxylase, PHOSPHONOFORMIC ACID | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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8ARD
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1D5Z
 | | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH PEPTIDOMIMETIC AND SEB | | Descriptor: | PROTEIN (ENTEROTOXIN TYPE B), PROTEIN (HLA CLASS II HISTOCOMPATIBILITY ANTIGEN), PROTEIN (PEPTIDOMIMETIC INHIBITOR) | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-12 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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1D5X
 | | X-RAY CRYSTAL STRUCTURE OF HLA-DR4 COMPLEXED WITH DIPEPTIDE MIMETIC AND SEB | | Descriptor: | DIPEPTIDE MIMETIC INHIBITOR, ENTEROTOXIN TYPE B, HLA CLASS II HISTOCOMPATIBILITY ANTIGEN | | Authors: | Swain, A, Crowther, R, Kammlott, U. | | Deposit date: | 1999-10-12 | | Release date: | 2000-06-28 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Peptide and peptide mimetic inhibitors of antigen presentation by HLA-DR class II MHC molecules. Design, structure-activity relationships, and X-ray crystal structures.
J.Med.Chem., 43, 2000
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4MV6
 | | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Phosphonoacetamide | | Descriptor: | 1,2-ETHANEDIOL, Biotin carboxylase, PHOSPHONOACETAMIDE | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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2ZOP
 | | X-ray crystal structure of a CRISPR-associated Cmr5 family protein from Thermus thermophilus HB8 | | Descriptor: | Putative uncharacterized protein TTHB164, SULFATE ION | | Authors: | Sakamoto, K, Agari, Y, Shinkai, A, Yokoyama, S, Kuramitsu, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2008-05-28 | | Release date: | 2009-02-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray crystal structure of a CRISPR-associated RAMP superfamily protein, Cmr5, from Thermus thermophilus HB8
Proteins, 75, 2009
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2H7E
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4MV9
 | | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with Bicarbonate | | Descriptor: | 1,2-ETHANEDIOL, BICARBONATE ION, Biotin carboxylase | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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4MWD
 | | Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1433) and ATP analog AMPPCP | | Descriptor: | 1-{3-[(3,5-dichlorobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ... | | Authors: | Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J. | | Deposit date: | 2013-09-24 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.253 Å) | | Cite: | Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
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5V5N
 | | Crystal structure of Takinib bound to TAK1 | | Descriptor: | Mitogen-activated protein kinase kinase kinase 7/TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide | | Authors: | Gurbani, D, Westover, K, Bera, A.K. | | Deposit date: | 2017-03-14 | | Release date: | 2017-08-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.006 Å) | | Cite: | Takinib, a Selective TAK1 Inhibitor, Broadens the Therapeutic Efficacy of TNF-alpha Inhibition for Cancer and Autoimmune Disease.
Cell Chem Biol, 24, 2017
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1FIB
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5V5X
 | | Protocadherin gammaB7 EC3-6 cis-dimer structure | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Goodman, K.M, Mannepalli, S, Bahna, F, Honig, B, Shapiro, L. | | Deposit date: | 2017-03-15 | | Release date: | 2017-11-01 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Protocadherin cis-dimer architecture and recognition unit diversity.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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1CYB
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2ICC
 | | Extracellular Domain of CRIg | | Descriptor: | V-set and immunoglobulin domain-containing protein 4 | | Authors: | Wiesmann, C. | | Deposit date: | 2006-09-12 | | Release date: | 2006-11-07 | | Last modified: | 2017-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of C3b in complex with CRIg gives insights into regulation of complement activation.
Nature, 444, 2006
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5WFP
 | | Ligand-bound Ras:SOS:Ras complex | | Descriptor: | 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ... | | Authors: | Sun, Q, Phan, J, Burns, M.C, Fesik, S.W. | | Deposit date: | 2017-07-12 | | Release date: | 2018-05-23 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
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4MV1
 | | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with ADP and Phosphate | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Biotin carboxylase, ... | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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2ILT
 | | Human 11-beta-Hydroxysteroid Dehydrogenase (HSD1) with NADP and Adamantane Sulfone Inhibitor | | Descriptor: | 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Longenecker, K.L, Sorensen, B, Judge, R, Qin, W, Link, J.T. | | Deposit date: | 2006-10-03 | | Release date: | 2007-04-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Adamantane sulfone and sulfonamide 11-beta-HSD1 Inhibitors.
Bioorg.Med.Chem.Lett., 17, 2007
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