3LJ1
 
 | | IRE1 complexed with Cdk1/2 Inhibitor III | | Descriptor: | 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, Serine/threonine-protein kinase/endoribonuclease IRE1 | | Authors: | Lee, K.P.K, Sicheri, F. | | Deposit date: | 2010-01-25 | | Release date: | 2010-05-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.33 Å) | | Cite: | Flavonol activation defines an unanticipated ligand-binding site in the kinase-RNase domain of IRE1.
Mol.Cell, 38, 2010
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5KJA
 | | Synechocystis apocarotenoid oxygenase (ACO) mutant - Trp149Ala | | Descriptor: | Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION | | Authors: | Sui, X, Kiser, P.D, Palczewski, K. | | Deposit date: | 2016-06-18 | | Release date: | 2016-08-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Key Residues for Catalytic Function and Metal Coordination in a Carotenoid Cleavage Dioxygenase.
J.Biol.Chem., 291, 2016
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7XZ5
 | | GPR119-Gs-LPC complex | | Descriptor: | (4R,7R,18E)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacos-18-en-1-aminium 4-oxide, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Xu, P, Huang, S, Jiang, Y, Xu, H.E. | | Deposit date: | 2022-06-02 | | Release date: | 2022-08-24 | | Last modified: | 2022-10-05 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural identification of lysophosphatidylcholines as activating ligands for orphan receptor GPR119.
Nat.Struct.Mol.Biol., 29, 2022
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3KFD
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6I65
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4MXE
 | | Human ESCO1 (Eco1/Ctf7 ortholog), acetyltransferase domain in complex with acetyl-CoA | | Descriptor: | ACETYL COENZYME *A, N-acetyltransferase ESCO1 | | Authors: | Karlberg, T, Wisniewska, M, Thorsell, A.G, Kouznetsova, E, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Kraulis, P, Kotenyova, T, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Svensson, L, Tresaugues, L, Van Den Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2013-09-26 | | Release date: | 2015-04-08 | | Last modified: | 2016-05-18 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Sister Chromatid Cohesion Establishment Factor ESCO1 Operates by Substrate-Assisted Catalysis.
Structure, 24, 2016
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4MYO
 | | Crystal structure of streptogramin group A antibiotic acetyltransferase VatA from Staphylococcus aureus | | Descriptor: | CHLORIDE ION, MAGNESIUM ION, SULFATE ION, ... | | Authors: | Stogios, P.J, Minasov, G, Dong, A, Evdokimova, E, Yim, V, Krishnamoorthy, M, Di Leo, R, Courvalin, P, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-09-27 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.696 Å) | | Cite: | Potential for Reduction of Streptogramin A Resistance Revealed by Structural Analysis of Acetyltransferase VatA.
Antimicrob.Agents Chemother., 58, 2014
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2NX7
 | | Structure of NOWA cysteine rich domain 8 | | Descriptor: | Nematocyst outer wall antigen | | Authors: | Meier, S, Jensen, P.R, Adamczyk, P, Bachinger, H.P, Holstein, T.W, Engel, J, Ozbek, S, Grzesiek, S. | | Deposit date: | 2006-11-17 | | Release date: | 2007-10-02 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Sequence-structure and structure-function analysis in cysteine-rich domains forming the ultrastable nematocyst wall.
J.Mol.Biol., 368, 2007
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6MN4
 | | Crystal structure of aminoglycoside acetyltransferase AAC(3)-IVa, H154A mutant, in complex with apramycin | | Descriptor: | 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, APRAMYCIN, ... | | Authors: | Stogios, P.J, Evdokimova, E, Michalska, K, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2018-10-01 | | Release date: | 2018-10-24 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and molecular rationale for the diversification of resistance mediated by the Antibiotic_NAT family.
Commun Biol, 5, 2022
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3KME
 | | Crystal structure of catalytic domain of TACE with phenyl-pyrrolidinyl-tartrate inhibitor | | Descriptor: | (2R,3R)-2,3-dihydroxy-4-oxo-4-[(2R)-2-phenylpyrrolidin-1-yl]-N-(thiophen-2-ylmethyl)butanamide, ISOPROPYL ALCOHOL, N-{(2R)-2-[2-(hydroxyamino)-2-oxoethyl]-4-methylpentanoyl}-3-methyl-L-valyl-N-(2-aminoethyl)-L-alaninamide, ... | | Authors: | Orth, P. | | Deposit date: | 2009-11-10 | | Release date: | 2009-12-22 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The discovery of novel tartrate-based TNF-alpha converting enzyme (TACE) inhibitors.
Bioorg.Med.Chem.Lett., 20, 2009
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6IBL
 | | ACTIVATED TURKEY BETA1 ADRENOCEPTOR WITH BOUND AGONIST FORMOTEROL AND NANOBODY Nb80 | | Descriptor: | Camelid antibody fragment Nb80, HEGA-10, SODIUM ION, ... | | Authors: | Warne, T, Edwards, P.C, Dore, A.S, Leslie, A.G.W, Tate, C.G. | | Deposit date: | 2018-11-30 | | Release date: | 2019-01-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Molecular basis of beta-arrestin coupling to formoterol-bound beta1-adrenoceptor.
Nature, 583, 2020
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4DDZ
 | | Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis | | Descriptor: | GLUCOSYL-3-PHOSPHOGLYCERATE SYNTHASE (GpgS), GLYCEROL | | Authors: | Albesa-Jove, D, Urresti, S, Gest, P.M, van der Woerd, M, Jackson, M, Guerin, M.E. | | Deposit date: | 2012-01-19 | | Release date: | 2012-06-06 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Mechanistic insights into the retaining glucosyl-3-phosphoglycerate synthase from mycobacteria.
J.Biol.Chem., 287, 2012
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3N78
 | | SgrAI bound to Secondary Site DNA and Mg(II) | | Descriptor: | DNA (5'-D(*AP*GP*TP*CP*CP*AP*CP*CP*GP*GP*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*CP*CP*CP*CP*CP*GP*GP*TP*GP*GP*AP*CP*T)-3'), MAGNESIUM ION, ... | | Authors: | Horton, N.C, Little, E.J, Dunten, P.W. | | Deposit date: | 2010-05-26 | | Release date: | 2010-11-24 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA.
Acta Crystallogr.,Sect.D, 67, 2011
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5B5U
 | | Crystal structure of truncated Pyrococcus furiosus L-asparaginase with peptide | | Descriptor: | ASPARTIC ACID, CHLORIDE ION, GLYCEROL, ... | | Authors: | Sharma, P, Tomar, R, Nath, S.K, Kundu, B, Ashish, F. | | Deposit date: | 2016-05-23 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Heat induces end to end repetitive association in P. furiosus L-asparaginase which enables its thermophilic property.
Sci Rep, 10, 2020
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4NGS
 | | Crystal Structure of Glutamate Carboxypeptidase II in a complex with urea-based inhibitor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Tykvart, J, Pachl, P. | | Deposit date: | 2013-11-02 | | Release date: | 2014-06-18 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Rational design of urea-based glutamate carboxypeptidase II (GCPII) inhibitors as versatile tools for specific drug targeting and delivery.
Bioorg.Med.Chem., 22, 2014
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4QGD
 | | Crystal Structure of the Complex of Phospholipase A2 with Gramine derivative at 1.80 A Resolution | | Descriptor: | 3-{3-[(DIMETHYLAMINO)METHYL]-1H-INDOL-7-YL}PROPAN-1-OL, Phospholipase A2 VRV-PL-VIIIa | | Authors: | Shukla, P.K, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2014-05-22 | | Release date: | 2014-06-18 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structures and binding studies of the complexes of phospholipase A2 with five inhibitors
Biochim.Biophys.Acta, 1854, 2015
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1LEH
 | | LEUCINE DEHYDROGENASE FROM BACILLUS SPHAERICUS | | Descriptor: | LEUCINE DEHYDROGENASE | | Authors: | Baker, P.J, Turnbull, A.P, Sedelnikova, S.E, Stillman, T.J, Rice, D.W. | | Deposit date: | 1995-06-09 | | Release date: | 1996-12-23 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A role for quaternary structure in the substrate specificity of leucine dehydrogenase.
Structure, 3, 1995
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2WTX
 | | Insight into the mechanism of enzymatic glycosyltransfer with retention through the synthesis and analysis of bisubstrate glycomimetics of trehalose-6-phosphate synthase | | Descriptor: | 1,2-ETHANEDIOL, ALPHA, ALPHA-TREHALOSE-PHOSPHATE SYNTHASE [UDP-FORMING], ... | | Authors: | Errey, J.C, Lee, S.S, Gibson, R.P, Martinez-Fleites, C, Barry, C.S, Jung, P.M.J, OSullivan, A, Davis, B.G, Davies, G.J. | | Deposit date: | 2009-09-25 | | Release date: | 2010-02-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Mechanistic Insight Into Enzymatic Glycosyl Transfer with Retention of Configuration Through Analysis of Glycomimetic Inhibitors.
Angew.Chem.Int.Ed.Engl., 49, 2010
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6I63
 | | Crystal structure of human ERRg LBD in complex with bisphenol-A | | Descriptor: | 4,4'-PROPANE-2,2-DIYLDIPHENOL, Estrogen-related receptor gamma | | Authors: | Delfosse, V, Blanc, P, Bourguet, W. | | Deposit date: | 2018-11-15 | | Release date: | 2019-07-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.229 Å) | | Cite: | Insights into the activation mechanism of human estrogen-related receptor gamma by environmental endocrine disruptors.
Cell.Mol.Life Sci., 76, 2019
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5GRS
 | | Complex structure of the fission yeast SREBP-SCAP binding domains | | Descriptor: | Sterol regulatory element-binding protein 1, Sterol regulatory element-binding protein cleavage-activating protein | | Authors: | Gong, X, Qian, H.W, Wu, J.P, Yan, N. | | Deposit date: | 2016-08-12 | | Release date: | 2016-12-14 | | Last modified: | 2019-10-23 | | Method: | ELECTRON MICROSCOPY (5.4 Å) | | Cite: | Complex structure of the fission yeast SREBP-SCAP binding domains reveals an oligomeric organization
Cell Res., 26, 2016
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6MUP
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6MUY
 | | Fluoroacetate dehalogenase, room temperature structure solved by serial 3 degree oscillation crystallography | | Descriptor: | CALCIUM ION, Fluoroacetate dehalogenase | | Authors: | Finke, A.D, Wierman, J.L, Pare-Labrosse, O, Sarrachini, A, Besaw, J, Mehrabi, P, Gruner, S.M, Miller, R.J.D. | | Deposit date: | 2018-10-24 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Fixed-target serial oscillation crystallography at room temperature.
IUCrJ, 6, 2019
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4ZAE
 | | Development of a novel class of potent and selective FIXa inhibitors | | Descriptor: | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H-1,2,4-triazol-4-yl)benzamide, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Coagulation factor IX, ... | | Authors: | Hruza, A, Reichert, P. | | Deposit date: | 2015-04-13 | | Release date: | 2015-06-03 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Development of a novel class of potent and selective FIXa inhibitors.
Bioorg.Med.Chem.Lett., 25, 2015
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6IBB
 | | Crystal structure of the rat isoform of the succinate receptor SUCNR1 (GPR91) in complex with a nanobody | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S},5~{R})-hexane-2,5-diol, CHOLESTEROL, ... | | Authors: | Haffke, M, Jaakola, V.-P. | | Deposit date: | 2018-11-29 | | Release date: | 2019-08-14 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of species-selective antagonist binding to the succinate receptor.
Nature, 574, 2019
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3N9H
 | | Crystal Structural of mutant Y305A in the copper amine oxidase from hansenula polymorpha | | Descriptor: | COPPER (II) ION, Peroxisomal primary amine oxidase | | Authors: | Chen, Z, Datta, S, DuBois, J.L, Klinman, J.P, Mathews, F.S. | | Deposit date: | 2010-05-30 | | Release date: | 2010-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Mutation at a strictly conserved, active site tyrosine in the copper amine oxidase leads to uncontrolled oxygenase activity.
Biochemistry, 49, 2010
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