3LJ1
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![BU of 3lj1 by Molmil](/molmil-images/mine/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
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![BU of 5kja by Molmil](/molmil-images/mine/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
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![BU of 7xz5 by Molmil](/molmil-images/mine/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
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![BU of 4mxe by Molmil](/molmil-images/mine/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
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![BU of 4myo by Molmil](/molmil-images/mine/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
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![BU of 2nx7 by Molmil](/molmil-images/mine/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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3KME
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![BU of 3kme by Molmil](/molmil-images/mine/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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6MN4
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![BU of 6mn4 by Molmil](/molmil-images/mine/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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6IBL
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![BU of 6ibl by Molmil](/molmil-images/mine/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
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![BU of 4ddz by Molmil](/molmil-images/mine/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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5B5U
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![BU of 5b5u by Molmil](/molmil-images/mine/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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3N78
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![BU of 3n78 by Molmil](/molmil-images/mine/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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4NGS
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![BU of 4ngs by Molmil](/molmil-images/mine/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
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![BU of 4qgd by Molmil](/molmil-images/mine/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
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![BU of 1leh by Molmil](/molmil-images/mine/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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6I63
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![BU of 6i63 by Molmil](/molmil-images/mine/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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2WTX
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![BU of 2wtx by Molmil](/molmil-images/mine/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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5GRS
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![BU of 5grs by Molmil](/molmil-images/mine/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
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![BU of 6muy by Molmil](/molmil-images/mine/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
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![BU of 4zae by Molmil](/molmil-images/mine/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
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![BU of 6ibb by Molmil](/molmil-images/mine/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
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![BU of 3n9h by Molmil](/molmil-images/mine/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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