1JT4
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![BU of 1jt4 by Molmil](/molmil-images/mine/1jt4) | Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND VAL 109 REPLACED BY LEU (V109L) | Descriptor: | FORMIC ACID, acidic fibroblast growth factor | Authors: | Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M. | Deposit date: | 2001-08-20 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core
region of a beta-trefoil. Protein Sci., 10, 2001
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1JT7
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![BU of 1jt7 by Molmil](/molmil-images/mine/1jt7) | Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L44F/L73V/V109L) | Descriptor: | FORMIC ACID, SULFATE ION, acidic fibroblast growth factor | Authors: | Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M. | Deposit date: | 2001-08-20 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core
region of a beta-trefoil. Protein Sci., 10, 2001
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3II9
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![BU of 3ii9 by Molmil](/molmil-images/mine/3ii9) | Crystal structure of glutaryl-coa dehydrogenase from Burkholderia pseudomallei at 1.73 Angstrom | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, Glutaryl-CoA dehydrogenase, ... | Authors: | Ismagilov, R.F, Li, L, Du, W.B, Staker, B, Accelerated Technologies Center for Gene to 3D Structure (ATCG3D), Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2009-07-31 | Release date: | 2009-12-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | User-loaded SlipChip for equipment-free multiplexed nanoliter-scale experiments. J.Am.Chem.Soc., 132, 2010
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8U0Q
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![BU of 8u0q by Molmil](/molmil-images/mine/8u0q) | Co-crystal structure of optimized analog TDI-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series | Descriptor: | Dihydrolipoyl dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Dementiev, A.A, Michino, M, Vendome, J, Ginn, J, Bryk, R, Olland, A. | Deposit date: | 2023-08-29 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.69 Å) | Cite: | Shape-Based Virtual Screening of a Billion-Compound Library Identifies Mycobacterial Lipoamide Dehydrogenase Inhibitors. Acs Bio Med Chem Au, 3, 2023
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8PJ0
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![BU of 8pj0 by Molmil](/molmil-images/mine/8pj0) | Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ... | Authors: | Georgiou, C, Brenk, R, Espeland, L.O. | Deposit date: | 2023-06-22 | Release date: | 2024-02-21 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection. Rsc Med Chem, 15, 2024
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4GLF
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![BU of 4glf by Molmil](/molmil-images/mine/4glf) | |
6YUY
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![BU of 6yuy by Molmil](/molmil-images/mine/6yuy) | STRUCTURE OF THE WNT DEACYLASE NOTUM IN COMPLEX WITH A PYRROLE-3-CARBOXYLIC ACID FRAGMENT 471 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-methyl-5-(trifluoromethyl)-1~{H}-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, ... | Authors: | Hillier, J, Ruza, R.R, Jones, E.Y. | Deposit date: | 2020-04-27 | Release date: | 2020-05-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Screening of a Custom-Designed Acid Fragment Library Identifies 1-Phenylpyrroles and 1-Phenylpyrrolidines as Inhibitors of Notum Carboxylesterase Activity. J.Med.Chem., 63, 2020
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3W11
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6AOY
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1JT5
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![BU of 1jt5 by Molmil](/molmil-images/mine/1jt5) | Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 73 REPLACED BY VAL AND VAL 109 REPLACED BY LEU (L73V/V109L) | Descriptor: | SULFATE ION, acidic fibroblast growth factor | Authors: | Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M. | Deposit date: | 2001-08-20 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core
region of a beta-trefoil. Protein Sci., 10, 2001
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4GOJ
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![BU of 4goj by Molmil](/molmil-images/mine/4goj) | The Crystal Structure of full length Arl3GppNHp in complex with UNC119a | Descriptor: | ADP-ribosylation factor-like protein 3, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ... | Authors: | Ismail, S, Xiang-Chen, Y, Miertzschke, M, Vetter, I, Koerner, C, Wittinghofer, A. | Deposit date: | 2012-08-20 | Release date: | 2012-09-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural basis for Arl3-specific release of myristoylated ciliary cargo from UNC119. Embo J., 31, 2012
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6B9D
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![BU of 6b9d by Molmil](/molmil-images/mine/6b9d) | Human ATL1 mutant - R77A bound to GDP | Descriptor: | Atlastin-1, GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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3UTO
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![BU of 3uto by Molmil](/molmil-images/mine/3uto) | Twitchin kinase region from C.elegans (Fn31-NL-kin-CRD-Ig26) | Descriptor: | 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL, CITRATE ANION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Castelmur, E, Barbieri, S, Mayans, O. | Deposit date: | 2011-11-26 | Release date: | 2012-08-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Identification of an N-terminal inhibitory extension as the primary mechanosensory regulator of twitchin kinase. Proc.Natl.Acad.Sci.USA, 109, 2012
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5A29
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![BU of 5a29 by Molmil](/molmil-images/mine/5a29) | Family 2 Pectate Lyase from Vibrio vulnificus | Descriptor: | 1,2-ETHANEDIOL, EXOPOLYGALACTURONATE LYASE, MANGANESE (II) ION, ... | Authors: | McLean, R, Hobbs, J.K, Suits, M.D, Tuomivaara, S, Jones, D, Boraston, A.B, Abbott, D.W. | Deposit date: | 2015-05-15 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Functional Analyses of Resurrected and Contemporary Enzymes Illuminate an Evolutionary Path for the Emergence of Exolysis in Polysaccharide Lyase Family 2. J.Biol.Chem., 290, 2015
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1JTC
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![BU of 1jtc by Molmil](/molmil-images/mine/1jtc) | Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE (L44F) | Descriptor: | FORMIC ACID, acidic fibroblast growth factor | Authors: | Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M. | Deposit date: | 2001-08-20 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core
region of a beta-trefoil. Protein Sci., 10, 2001
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8WEY
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![BU of 8wey by Molmil](/molmil-images/mine/8wey) | PSI-LHCI of the red alga Cyanidium caldarium RK-1 (NIES-2137) | Descriptor: | (1~{R})-3,5,5-trimethyl-4-[(1~{E},3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(4~{R} )-2,6,6-trimethyl-4-oxidanyl-cyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BETA-CAROTENE, ... | Authors: | Kato, K, Hamaguchi, T, Nakajima, Y, Kawakami, K, Yonekura, K, Shen, J.R, Nagao, R. | Deposit date: | 2023-09-19 | Release date: | 2024-02-14 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (1.92 Å) | Cite: | The structure of PSI-LHCI from Cyanidium caldarium provides evolutionary insights into conservation and diversity of red-lineage LHCs. Proc.Natl.Acad.Sci.USA, 121, 2024
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6QXU
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![BU of 6qxu by Molmil](/molmil-images/mine/6qxu) | Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one | Descriptor: | 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ... | Authors: | Musil, D, Lehmann, D, Buchstaller, H.-P. | Deposit date: | 2019-03-08 | Release date: | 2019-08-14 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity. J.Med.Chem., 62, 2019
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3W13
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![BU of 3w13 by Molmil](/molmil-images/mine/3w13) | Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alphact peptide(693-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowski, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.303 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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6B9G
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![BU of 6b9g by Molmil](/molmil-images/mine/6b9g) | human ATL1 GTPase domain bound to GDP | Descriptor: | Atlastin-1, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | O'Donnell, J.P, Sondermann, H. | Deposit date: | 2017-10-10 | Release date: | 2017-12-06 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A hereditary spastic paraplegia-associated atlastin variant exhibits defective allosteric coupling in the catalytic core. J. Biol. Chem., 293, 2018
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6CG9
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![BU of 6cg9 by Molmil](/molmil-images/mine/6cg9) | Crystal structure of Triosephosphate Isomerase from Zea mays (mexican corn) | Descriptor: | ACETATE ION, GLYCEROL, Triosephosphate isomerase, ... | Authors: | Romero-Romero, S, Fernandez-Velasco, D.A, Rodriguez-Romero, A. | Deposit date: | 2018-02-19 | Release date: | 2018-10-10 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and conformational stability of the triosephosphate isomerase from Zea mays. Comparison with the chemical unfolding pathways of other eukaryotic TIMs. Arch. Biochem. Biophys., 658, 2018
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5AK2
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![BU of 5ak2 by Molmil](/molmil-images/mine/5ak2) | Oxyphenylpropenoic acids as Oral Selective Estrogen Receptor Down- Regulators. | Descriptor: | (E)-3-[4-[[3-(4-fluoranyl-2-methyl-phenyl)-7-oxidanyl-2-oxidanylidene-chromen-4-yl]methyl]phenyl]prop-2-enoic acid, ESTROGEN RECEPTOR | Authors: | Degorce, S, Bailey, A, Callis, R, De Savi, C, Ducray, R, Lamot, P, MacFaul, P, Maudet, M, Norman, R.A, Scott, J.S, Phillips, C. | Deposit date: | 2015-02-27 | Release date: | 2015-04-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Investigation of (E)-3-[4-(2-Oxo-3-Aryl-Chromen-4-Yl)Oxyphenyl]Acrylic Acids as Oral Selective Estrogen Receptor Down-Regulators. J.Med.Chem., 58, 2015
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8USR
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![BU of 8usr by Molmil](/molmil-images/mine/8usr) | IL17A homodimer complexed to Compound 23 | Descriptor: | Interleukin-17A, ~{N}-[(2~{S})-1-[[(1~{S})-1-(8~{a}~{H}-imidazo[1,2-a]pyrimidin-2-yl)ethyl]amino]-1-oxidanylidene-4-phenyl-butan-2-yl]-4,5-bis(chloranyl)-1~{H}-pyrrole-2-carboxamide | Authors: | Argiriadi, M.A, Ramos, A.L. | Deposit date: | 2023-10-29 | Release date: | 2024-04-03 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of Small Molecule Interleukin 17A Inhibitors with Novel Binding Mode and Stoichiometry: Optimization of DNA-Encoded Chemical Library Hits to In Vivo Active Compounds. J.Med.Chem., 67, 2024
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3W12
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![BU of 3w12 by Molmil](/molmil-images/mine/3w12) | Insulin receptor ectodomain construct comprising domains L1-CR in complex with high-affinity insulin analogue [D-PRO-B26]-DTI-NH2, alpha-CT peptide(704-719) and FAB 83-7 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ... | Authors: | Lawrence, M.C, Smith, B.J, Brzozowsk, A.M. | Deposit date: | 2012-11-06 | Release date: | 2013-01-09 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (4.301 Å) | Cite: | How insulin engages its primary binding site on the insulin receptor Nature, 493, 2013
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4E2R
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4E2V
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![BU of 4e2v by Molmil](/molmil-images/mine/4e2v) | tRNA-guanine transglycosylase Y106F, C158V mutant in complex with preQ1 | Descriptor: | 7-DEAZA-7-AMINOMETHYL-GUANINE, GLYCEROL, Queuine tRNA-ribosyltransferase, ... | Authors: | Schmidt, I, Reuter, K, Klebe, G, Heine, A, Tidten, N. | Deposit date: | 2012-03-09 | Release date: | 2013-03-27 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.18 Å) | Cite: | Investigation of Specificity Determinants in Bacterial tRNA-Guanine Transglycosylase Reveals Queuine, the Substrate of Its Eucaryotic Counterpart, as Inhibitor. Plos One, 8, 2013
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