PDB: 92869 resultsInfo pagesStatus searchChemie searchBIRD

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7DFN	Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with alpha-L-arabinofuranosyl xylotetraose Descriptor: CHLORIDE ION, Endo-1,4-beta-xylanase, SODIUM ION, ... Authors: Fujimoto, Z, Kishine, N, Kaneko, S. Deposit date: 2020-11-09 Release date: 2020-12-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86. Appl.Microbiol.Biotechnol., 105, 2021
5UUB	Tetragonal thermolysin cryocooled to 100 K with 25% xylose/25% mpd as cryoprotectant Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, ... Authors: Juers, D.H. Deposit date: 2017-02-16 Release date: 2017-03-08 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.60000288 Å) Cite: The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
3K1T	Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution Descriptor: CHLORIDE ION, GLYCEROL, Glutamate--cysteine ligase GshA, ... Authors: Joint Center for Structural Genomics (JCSG) Deposit date: 2009-09-28 Release date: 2009-11-03 Last modified: 2023-02-01 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Crystal structure of Putative gamma-glutamylcysteine synthetase (YP_546622.1) from METHYLOBACILLUS FLAGELLATUS KT at 1.90 A resolution To be published
3S7M	Pyrazolyl and Thienyl Aminohydantoins as Potent BACE1 Inhibitors Descriptor: (5S)-2-amino-3-methyl-5-[3-(pyridin-3-yl)phenyl]-5-(thiophen-3-yl)-3,5-dihydro-4H-imidazol-4-one, Beta-secretase 1 Authors: Chopra, R, Olland, A, Svenson, K. Deposit date: 2011-05-26 Release date: 2011-08-31 Method: X-RAY DIFFRACTION (2.2 Å) Cite: New pyrazolyl and thienyl aminohydantoins as potent BACE1 inhibitors: Exploring the S2' region. Bioorg.Med.Chem.Lett., 21, 2011
5UN3	Tetragonal thermolysin (295 K) in the presence of 50% xylose Descriptor: CALCIUM ION, CHLORIDE ION, Thermolysin, ... Authors: Juers, D. Deposit date: 2017-01-30 Release date: 2017-02-22 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.60004437 Å) Cite: The impact of cryosolution thermal contraction on proteins and protein crystals: volumes, conformation and order. Acta Crystallogr D Struct Biol, 74, 2018
7DFO	Crystal structure of glycoside hydrolase family 11 beta-xylanase from Streptomyces olivaceoviridis E-86 in complex with 4-O-methyl-alpha-D-glucuronopyranosyl xylotetraose Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-[beta-D-xylopyranose-(1-4)]beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, CHLORIDE ION, ... Authors: Fujimoto, Z, Kishine, N, Kaneko, S. Deposit date: 2020-11-09 Release date: 2020-12-30 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure-based substrate specificity analysis of GH11 xylanase from Streptomyces olivaceoviridis E-86. Appl.Microbiol.Biotechnol., 105, 2021
3G4F	Crystal Structure of (+)- -Cadinene Synthase from Gossypium arboreum in complex with 2-fluorofarnesyl diphosphate Descriptor: (+)-delta-cadinene synthase isozyme XC1, (2Z,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, BETA-MERCAPTOETHANOL, ... Authors: Gennadios, H.A, Di Costanzo, L, Christianson, D.W. Deposit date: 2009-02-03 Release date: 2009-06-23 Last modified: 2024-04-03 Method: X-RAY DIFFRACTION (2.651 Å) Cite: Crystal structure of (+)-delta-cadinene synthase from Gossypium arboreum and evolutionary divergence of metal binding motifs for catalysis. Biochemistry, 48, 2009
5HUH	Crystal Structure of NadE from Streptococcus pyogenes Descriptor: MAGNESIUM ION, NH(3)-dependent NAD(+) synthetase, SULFATE ION Authors: Booth, W.T, Chruszcz, M. Deposit date: 2016-01-27 Release date: 2017-01-25 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Streptococcus pyogenes quinolinate-salvage pathway-structural and functional studies of quinolinate phosphoribosyl transferase and NH3 -dependent NAD(+) synthetase. FEBS J., 284, 2017
3QQK	CDK2 in complex with inhibitor L4 Descriptor: 1,2-ETHANEDIOL, Cyclin-dependent kinase 2, [4-amino-2-(prop-2-en-1-ylamino)-1,3-thiazol-5-yl](phenyl)methanone Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-02-15 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.86 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
5T5O	LECTIN FROM BAUHINIA FORFICATA IN COMPLEX WITH TN-PEPTIDE Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CALCIUM ION, Lectin, ... Authors: Lubkowski, J, Wlodawer, A. Deposit date: 2016-08-31 Release date: 2016-12-28 Last modified: 2020-07-29 Method: X-RAY DIFFRACTION (2.75 Å) Cite: Structural analysis and unique molecular recognition properties of a Bauhinia forficata lectin that inhibits cancer cell growth. FEBS J., 284, 2017
3CS8	Structural and Biochemical Basis for the Binding Selectivity of PPARg to PGC-1a Descriptor: 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL), PGC-1alfa peptide, ... Authors: Li, Y, Martynowski, D. Deposit date: 2008-04-09 Release date: 2008-06-03 Last modified: 2024-02-21 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Structural and biochemical basis for the binding selectivity of peroxisome proliferator-activated receptor gamma to PGC-1alpha. J.Biol.Chem., 283, 2008
3RPV	CDK2 in complex with inhibitor RC-2-88 Descriptor: 1,2-ETHANEDIOL, 4-{[4-amino-5-(3-aminobenzoyl)-1,3-thiazol-2-yl]amino}benzenesulfonamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-04-27 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
6YXE	Structure of the Trim69 RING domain Descriptor: E3 ubiquitin-protein ligase TRIM69, ZINC ION Authors: Keown, J.R, Goldstone, D.C. Deposit date: 2020-05-01 Release date: 2020-10-14 Last modified: 2024-05-15 Method: X-RAY DIFFRACTION (2.1 Å) Cite: The RING domain of TRIM69 promotes higher-order assembly. Acta Crystallogr D Struct Biol, 76, 2020
3VUO	Crystal structure of nontoxic nonhemagglutinin subcomponent (NTNHA) from clostridium botulinum serotype D strain 4947 Descriptor: NTNHA Authors: Sagane, Y, Miyashita, S.-I, Miyata, K, Matsumoto, T, Inui, K, Hayashi, S, Suzuki, T, Hasegawa, K, Yajima, S, Yamano, A, Niwa, K, Watanabe, T. Deposit date: 2012-07-03 Release date: 2012-09-19 Method: X-RAY DIFFRACTION (3.9 Å) Cite: Small-angle X-ray scattering reveals structural dynamics of the botulinum neurotoxin associating protein, nontoxic nonhemagglutinin Biochem.Biophys.Res.Commun., 425, 2012
6CHD	Crystal Structure of Human Lysyl-tRNA Synthetase complexed with L-Lysylsulfamoyl Adenosine Descriptor: 1,2-ETHANEDIOL, 5'-O-[(L-LYSYLAMINO)SULFONYL]ADENOSINE, GLYCEROL, ... Authors: Dranow, D.M, Abendroth, J, Lorimer, D.D. Deposit date: 2018-02-22 Release date: 2018-03-07 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal Structure of Human Lysyl-tRNA Synthetase complexed with L-Lysylsulfamoyl Adenosine to be published
3CFB	High-resolution structure of blue fluorescent antibody EP2-19G2 in complex with stilbene hapten at 100K Descriptor: 4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID, BLUE FLUORESCENT ANTIBODY EP2-19G2-IGG2B HEAVY CHAIN, BLUE FLUORESCENT ANTIBODY EP2-19G2-KAPPA LIGHT CHAIN, ... Authors: Debler, E.W, Wilson, I.A. Deposit date: 2008-03-03 Release date: 2008-03-18 Last modified: 2023-08-30 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Deeply inverted electron-hole recombination in a luminescent antibody-stilbene complex. Science, 319, 2008
3R9D	CDK2 in complex with inhibitor RC-2-135 Descriptor: 4-amino-N-(3-fluorophenyl)-2-[(4-sulfamoylphenyl)amino]-1,3-thiazole-5-carboxamide, Cyclin-dependent kinase 2 Authors: Betzi, S, Alam, R, Han, H, Becker, A, Schonbrunn, E. Deposit date: 2011-03-25 Release date: 2012-10-31 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (1.95 Å) Cite: Development of highly potent and selective diaminothiazole inhibitors of cyclin-dependent kinases. J.Med.Chem., 56, 2013
5EAR	Crystal structure of human WDR5 in complex with compound 9d Descriptor: 1,2-ETHANEDIOL, N-[5-(2,3-dihydro-1-benzofuran-7-yl)-2-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide, SULFATE ION, ... Authors: DONG, A, DOMBROVSKI, L, SMIL, D, GETLIK, M, BOLSHAN, Y, WALKER, J.R, SENISTERRA, G, PODA, G, AL-AWAR, R, SCHAPIRA, M, VEDADI, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, BROWN, P.J, WU, H, Structural Genomics Consortium (SGC) Deposit date: 2015-10-16 Release date: 2015-11-04 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.8 Å) Cite: Structure-Based Optimization of a Small Molecule Antagonist of the Interaction Between WD Repeat-Containing Protein 5 (WDR5) and Mixed-Lineage Leukemia 1 (MLL1). J. Med. Chem., 59, 2016
3RHY	Crystal structure of the dimethylarginine dimethylaminohydrolase adduct with 4-chloro-2-hydroxymethylpyridine Descriptor: (4-chloropyridin-2-yl)methanol, N(G),N(G)-dimethylarginine dimethylaminohydrolase Authors: Monzingo, A.F, Johnson, C.M, Ke, Z, Yoon, D.-W, Linsky, T.W, Guo, H, Fast, W, Robertus, J.D. Deposit date: 2011-04-12 Release date: 2011-06-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.18 Å) Cite: On the mechanism of dimethylarginine dimethylaminohydrolase inactivation by 4-halopyridines. J.Am.Chem.Soc., 133, 2011
4OEU	Crystal structure of NikZ from Campylobacter jejuni in complex with Ni(L-His) Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, HISTIDINE, ... Authors: Lebrette, H, Cavazza, C. Deposit date: 2014-01-13 Release date: 2014-10-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.2 Å) Cite: Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins. Structure, 22, 2014
2XYJ	Novel Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (PPAR) gamma-delta Agonists with High Potency and In-vivo Efficacy Descriptor: 5-CHLORO-2-METHOXY-N-[2-[4-[(5-PROPAN-2-YL-1,3,4-THIADIAZOL-2-YL)SULFAMOYL]PHENYL]ETHYL]BENZAMIDE, PENTAETHYLENE GLYCOL, PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA Authors: Marquette, J.-P, Mathieu, M. Deposit date: 2010-11-18 Release date: 2011-02-23 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (2.3 Å) Cite: Sulfonylthiadiazoles with an Unusual Binding Mode as Partial Dual Peroxisome Proliferator-Activated Receptor (Ppar) Gamma / Delta Agonists with High Potency and in-Vivo Efficacy Chemmedchem, 6, 2011
4OFL	Crystal structure of YntA from Yersinia pestis in complex with Ni(L-His)2 Descriptor: Extracytoplasmic Nickel-Binding Protein YpYntA, HISTIDINE, NICKEL (II) ION Authors: Lebrette, H, Cavazza, C. Deposit date: 2014-01-15 Release date: 2014-10-01 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (2.7 Å) Cite: Promiscuous nickel import in human pathogens: structure, thermodynamics, and evolution of extracytoplasmic nickel-binding proteins. Structure, 22, 2014
7NPZ	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 2, ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide Authors: Chung, C. Deposit date: 2021-02-28 Release date: 2021-07-21 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.28 Å) Cite: Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7NQ0	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ... Authors: Chung, C. Deposit date: 2021-02-28 Release date: 2021-07-21 Last modified: 2024-06-19 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
7DRP	Structure of ATP-grasp ligase PsnB complexed with phosphomimetic variant of minimal precursor, Mg, and ADP Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-grasp domain-containing protein, MAGNESIUM ION, ... Authors: Song, I, Yu, J, Song, W, Kim, S. Deposit date: 2020-12-29 Release date: 2021-09-08 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (2.98 Å) Cite: Molecular mechanism underlying substrate recognition of the peptide macrocyclase PsnB. Nat.Chem.Biol., 17, 2021

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