3KS2
 
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5UQ6
 | | PIG PURPLE ACID PHOSPHATASE COMPLEXED WITH PHOSPHATE IN TWO COORDINATION MODES ALONG WITH A BRIDGING HYDROXIDE ION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FE (III) ION, HYDROXIDE ION, ... | | Authors: | Selleck, C, Guddat, L, Schenk, G, Clayton, D. | | Deposit date: | 2017-02-06 | | Release date: | 2017-05-24 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.182 Å) | | Cite: | Visualization of the Reaction Trajectory and Transition State in a Hydrolytic Reaction Catalyzed by a Metalloenzyme.
Chemistry, 23, 2017
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5UPI
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5UTY
 | | Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ... | | Authors: | Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D. | | Deposit date: | 2017-02-15 | | Release date: | 2017-03-29 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (3.412 Å) | | Cite: | Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
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5V79
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)-N-phenylacetamide | | Descriptor: | 2-[(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]-N-phenylacetamide, Dihydropteroate synthase, NITRATE ION | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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3L45
 | | A Joint Neutron and X-ray structure of Oxidized Amicyanin | | Descriptor: | Amicyanin, COPPER (II) ION | | Authors: | Sukumar, N, Mathews, F.S, Langan, P, Davidson, V.L. | | Deposit date: | 2009-12-18 | | Release date: | 2010-04-28 | | Last modified: | 2023-09-13 | | Method: | NEUTRON DIFFRACTION (1.8 Å), X-RAY DIFFRACTION | | Cite: | A joint x-ray and neutron study on amicyanin reveals the role of protein dynamics in electron transfer.
Proc.Natl.Acad.Sci.USA, 107, 2010
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4ESP
 | | Crystal Structure of Peanut Allergen Ara h 5 | | Descriptor: | 1,2-ETHANEDIOL, ISOPROPYL ALCOHOL, Profilin | | Authors: | Wang, Y, Zhang, Y.Z. | | Deposit date: | 2012-04-23 | | Release date: | 2013-03-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal Structure of Peanut ( Arachis hypogaea ) Allergen Ara h 5.
J.Agric.Food Chem., 61, 2013
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3KRL
 | | cFMS Tyrosine kinase in complex with 5-Cyano-furan-2-carboxylic acid [4-(4-methyl-piperazin-1-yl)-2-piperidin-1-yl-phenyl]-amide | | Descriptor: | 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide, Macrophage colony-stimulating factor 1 receptor, Basic fibroblast growth factor receptor 1, ... | | Authors: | Schubert, C. | | Deposit date: | 2009-11-18 | | Release date: | 2010-12-01 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Optimization of a Potent Class of Arylamide Colony-Stimulating Factor-1 Receptor Inhibitors Leading to Anti-inflammatory Clinical Candidate 4-Cyano-N-[2-(1-cyclohexen-1-yl)-4-[1-[(dimethylamino)acetyl]-4-piperidinyl]phenyl]-1H-imidazole-2-carboxamide (JNJ-28312141).
J.Med.Chem., 54, 2011
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5V1W
 | | Crystal structure of BhGH81 in complex with laminaro-biose | | Descriptor: | 1,2-ETHANEDIOL, Glycoside Hydrolase, PHOSPHATE ION, ... | | Authors: | Pluvinage, B, Boraston, A.B. | | Deposit date: | 2017-03-02 | | Release date: | 2017-06-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The quaternary structure of beta-1,3-glucan contributes to its recognition and hydrolysis by a multimodular family 81 glycoside hydrolase
Structure, 2017
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3I29
 | | Crystal structure of a binary complex between an mutant trypsin inhibitor with bovine trypsin | | Descriptor: | CALCIUM ION, Cationic trypsin, Chymotrypsin inhibitor 3 | | Authors: | Khamrui, S, Majumder, S, Dasgupta, J, Dattagupta, J.K, Sen, U. | | Deposit date: | 2009-06-29 | | Release date: | 2010-06-16 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Role of remote scaffolding residues in the inhibitory loop pre-organization, flexibility, rigidification and enzyme inhibition of serine protease inhibitors
Biochim.Biophys.Acta, 1824, 2012
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5V7A
 | | E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative: 2-((2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)thio)acetic acid | | Descriptor: | CHLORIDE ION, Dihydropteroate synthase, [(2-amino-9-methyl-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]acetic acid | | Authors: | Dennis, M.L, Peat, T.S, Swarbrick, J.D. | | Deposit date: | 2017-03-20 | | Release date: | 2017-12-06 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | 8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
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4MQ2
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, PENTAETHYLENE GLYCOL, SULFATE ION, ... | | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-11 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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5UV6
 | | Crystal structure of human Opioid Binding Protein/Cell Adhesion Molecule Like (OPCML) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Opioid-binding protein/cell adhesion molecule, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Birtley, J.R, Stern, L.J, Gabra, H, Zanini, E. | | Deposit date: | 2017-02-19 | | Release date: | 2018-03-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.65002 Å) | | Cite: | Inactivating mutations and X-ray crystal structure of the tumor suppressor OPCML reveal cancer-associated functions.
Nat Commun, 10, 2019
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4ERQ
 | | X-ray structure of WDR5-MLL2 Win motif peptide binary complex | | Descriptor: | Histone-lysine N-methyltransferase MLL2, WD repeat-containing protein 5 | | Authors: | Dharmarajan, V, Lee, J.-H, Patel, A, Skalnik, D.G, Cosgrove, M.S. | | Deposit date: | 2012-04-20 | | Release date: | 2012-05-16 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.906 Å) | | Cite: | Structural basis for WDR5 interaction (Win) motif recognition in human SET1 family histone methyltransferases.
J.Biol.Chem., 287, 2012
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3SWO
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1QLH
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1QLJ
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5VA4
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3I3L
 | | Crystal structure of CmlS, a flavin-dependent halogenase | | Descriptor: | Alkylhalidase CmlS, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Podzelinska, K, Soares, A, Jia, Z, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI) | | Deposit date: | 2009-06-30 | | Release date: | 2010-03-09 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Chloramphenicol Biosynthesis: The Structure of CmlS, a Flavin-Dependent Halogenase Showing a Covalent Flavin-Aspartate Bond
J.Mol.Biol., 397, 2010
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5VVI
 | | Crystal Structure of the Ligand Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens in the Complex with Octopine | | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CHLORIDE ION, ... | | Authors: | Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-05-19 | | Release date: | 2017-06-21 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018
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3LOB
 | | Crystal Structure of Flock House Virus calcium mutant | | Descriptor: | Coat protein beta, Coat protein gamma, RNA (5'-R(*UP*UP*U*AP*UP*CP*UP*(P))-3'), ... | | Authors: | Johnson, J.E, Banerjee, M, Speir, J.A, Huang, R. | | Deposit date: | 2010-02-03 | | Release date: | 2010-04-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure and function of a genetically engineered mimic of a nonenveloped virus entry intermediate.
J.Virol., 84, 2010
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4MQ1
 | | The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor | | Descriptor: | Dual specificity tyrosine-phosphorylation-regulated kinase 1A, N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide, PENTAETHYLENE GLYCOL, ... | | Authors: | Lukacs, C.M, Janson, C.A, Garvie, C, Liang, L. | | Deposit date: | 2013-09-15 | | Release date: | 2013-12-11 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
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2JCG
 | | Apo form of the catabolite control protein A (ccpA) from bacillus megaterium, with the DNA binding domain | | Descriptor: | CALCIUM ION, GLUCOSE-RESISTANCE AMYLASE REGULATOR | | Authors: | Singh, R.K, Panjikar, S, Palm, G.J, Hinrichs, W. | | Deposit date: | 2006-12-22 | | Release date: | 2007-03-06 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of the Apo Form of the Catabolite Control Protein a (Ccpa) from Bacillus Megaterium with a DNA-Binding Domain.
Acta Crystallogr.,Sect.F, 63, 2007
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5VVH
 | | Crystal Structure of the Effector Binding Domain of LysR-type Transcriptional Regulator, OccR from Agrobacterium tumefaciens | | Descriptor: | FORMIC ACID, Octopine catabolism/uptake operon regulatory protein OccR, SULFATE ION | | Authors: | Kim, Y, Chhor, G, Jedrzejczak, R, Winans, S.C, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2017-05-19 | | Release date: | 2017-06-21 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Crystal Structure of the Ligand-Binding Domain of a LysR-type Transcriptional Regulator: Transcriptional Activation via a Rotary Switch.
Mol. Microbiol., 2018
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1QSS
 | | DDGTP-TRAPPED CLOSED TERNARY COMPLEX OF THE LARGE FRAGMENT OF DNA POLYMERASE I FROM THERMUS AQUATICUS | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 5'-D(*AP*CP*CP*GP*CP*GP*CP*CP*GP*TP*GP*GP*TP*C)-3', 5'-D(*GP*AP*CP*CP*AP*CP*GP*GP*CP*GP*CP*(DDG))-3', ... | | Authors: | Li, Y, Mitaxov, V, Waksman, G. | | Deposit date: | 1999-06-23 | | Release date: | 1999-08-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based design of Taq DNA polymerases with improved properties of dideoxynucleotide incorporation.
Proc.Natl.Acad.Sci.USA, 96, 1999
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