6QXJ
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![BU of 6qxj by Molmil](/molmil-images/mine/6qxj) | Structure of MBP-Mcl-1 in complex with compound 6a | Descriptor: | (2~{R})-2-[[6-ethyl-5-(1~{H}-indol-5-yl)thieno[2,3-d]pyrimidin-4-yl]amino]propanoic acid, Maltose-binding periplasmic protein,Induced myeloid leukemia cell differentiation protein Mcl-1, SODIUM ION, ... | Authors: | Dokurno, P, Szlavik, Z, Ondi, L, Csekei, M, Paczal, A, Szabo, Z.B, Radics, G, Murray, J, Davidson, J, Chen, I, Davis, B, Hubbard, R.E, Pedder, C, Surgenor, A.E, Smith, J, Robertson, A, LeToumelin-Braizat, G, Cauquil, N, Zarka, M, Demarles, D, Perron-Sierra, F, Geneste, O, Kotschy, A. | Deposit date: | 2019-03-07 | Release date: | 2019-08-07 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-Guided Discovery of a Selective Mcl-1 Inhibitor with Cellular Activity. J.Med.Chem., 62, 2019
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6CNJ
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![BU of 6cnj by Molmil](/molmil-images/mine/6cnj) | Structure of the 2alpha3beta stiochiometry of the human Alpha4Beta2 nicotinic receptor | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, ... | Authors: | Walsh Jr, R.M, Roh, S.H, Gharpure, A, Morales-Perez, C.L, Teng, J, Hibbs, R.E. | Deposit date: | 2018-03-08 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural principles of distinct assemblies of the human alpha 4 beta 2 nicotinic receptor. Nature, 557, 2018
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5OK2
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8C6O
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![BU of 8c6o by Molmil](/molmil-images/mine/8c6o) | Crystal Structure of H64F obelin mutant from Obelia longissima at 2.2 Angstrom resolution | Descriptor: | C2-HYDROPEROXY-COELENTERAZINE, Obelin, SODIUM ION | Authors: | Natashin, P.V, Burakova, L.P, Kovaleva, M.I, Schevtsov, M.B, Dmitrieva, D.A, Eremeeva, E.V, Markova, S.V, Mishin, A.V, Borshchevskiy, V.I, Vysotski, E.S. | Deposit date: | 2023-01-12 | Release date: | 2023-03-29 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | The Role of Tyr-His-Trp Triad and Water Molecule Near the N1-Atom of 2-Hydroperoxycoelenterazine in Bioluminescence of Hydromedusan Photoproteins: Structural and Mutagenesis Study. Int J Mol Sci, 24, 2023
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6AQ6
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8C0I
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![BU of 8c0i by Molmil](/molmil-images/mine/8c0i) | Structure of E. coli Class 2 L-asparaginase EcAIII, mutant M200L (acyl-enzyme intermediate) | Descriptor: | CHLORIDE ION, Isoaspartyl peptidase subunit alpha, Isoaspartyl peptidase subunit beta, ... | Authors: | Sciuk, A, Jaskolski, M, Loch, J.I. | Deposit date: | 2022-12-16 | Release date: | 2023-05-03 | Last modified: | 2023-06-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The effects of nature-inspired amino acid substitutions on structural and biochemical properties of the E. coli L-asparaginase EcAIII. Protein Sci., 32, 2023
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4ZCG
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![BU of 4zcg by Molmil](/molmil-images/mine/4zcg) | Crystal Structure of human GGT1 in complex with Glutamate (with all atoms of glutamate) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, GLUTAMIC ACID, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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5OHI
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![BU of 5ohi by Molmil](/molmil-images/mine/5ohi) | Crystal structure of autotaxin in complex with BI-2545 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15-PENTAOXAHEPTADECANE, CALCIUM ION, ... | Authors: | Hoerer, S. | Deposit date: | 2017-07-17 | Release date: | 2018-01-03 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Discovery of BI-2545: A Novel Autotaxin Inhibitor That Significantly Reduces LPA Levels in Vivo. ACS Med Chem Lett, 8, 2017
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6DLQ
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6DLT
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![BU of 6dlt by Molmil](/molmil-images/mine/6dlt) | PRPP Riboswitch bound to PRPP, native structure | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, MAGNESIUM ION, PRPP Riboswitch, ... | Authors: | Peselis, A, Serganov, A. | Deposit date: | 2018-06-02 | Release date: | 2018-11-14 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | ykkC riboswitches employ an add-on helix to adjust specificity for polyanionic ligands. Nat. Chem. Biol., 14, 2018
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4XHQ
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4XC4
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![BU of 4xc4 by Molmil](/molmil-images/mine/4xc4) | Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide | Descriptor: | CHLORIDE ION, Insulin, SODIUM ION, ... | Authors: | Bracey, A.W, Magis, A.T, Buschard, K, Osterbye, T, Bailey, K.M, Ostrov, D.A. | Deposit date: | 2014-12-17 | Release date: | 2015-02-11 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Insulin co-crystallizes in the presence of it beta-cell chaperone sulfatide To Be Published
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4XHS
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![BU of 4xhs by Molmil](/molmil-images/mine/4xhs) | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction | Descriptor: | FORMIC ACID, Maltose-binding periplasmic protein,NACHT, LRR and PYD domains-containing protein 12, ... | Authors: | Jin, T, Huang, M, Jiang, J, Xiao, T. | Deposit date: | 2015-01-06 | Release date: | 2016-01-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of human NLRP12 PYD domain and implication in homotypic interaction To Be Published
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4XOP
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![BU of 4xop by Molmil](/molmil-images/mine/4xop) | Tailspike protein double mutant D339N/E372Q of E. coli bacteriophage HK620 in complex with hexasaccharide | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, FORMIC ACID, SODIUM ION, ... | Authors: | Gohlke, U, Broeker, N.K, Heinemann, U, Seckler, R, Barbirz, S. | Deposit date: | 2015-01-16 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Enthalpic cost of water removal from a hydrophobic glucose binding cavity on HK620 tailspike protein. to be published
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6C01
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![BU of 6c01 by Molmil](/molmil-images/mine/6c01) | Human ectonucleotide pyrophosphatase / phosphodiesterase 3 (ENPP3, NPP3, CD203c) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gorelik, A, Randriamihaja, A, Illes, K, Nagar, B. | Deposit date: | 2017-12-27 | Release date: | 2018-05-02 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural basis for nucleotide recognition by the ectoenzyme CD203c. FEBS J., 285, 2018
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6C1E
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![BU of 6c1e by Molmil](/molmil-images/mine/6c1e) | NavAb NormoPP mutant | Descriptor: | (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL, ... | Authors: | Catterall, W.A, Zheng, N, Jiang, D, Gamal El-Din, T.M. | Deposit date: | 2018-01-04 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Structural basis for gating pore current in periodic paralysis. Nature, 557, 2018
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6C6F
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4XEB
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![BU of 4xeb by Molmil](/molmil-images/mine/4xeb) | The structure of P. funicolosum Cel7A | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glucanase, ... | Authors: | Alahuhta, P.M, Lunin, V.V. | Deposit date: | 2014-12-23 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Engineering enhanced cellobiohydrolase activity Nat Commun, 9(1), 2018
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4ZG9
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![BU of 4zg9 by Molmil](/molmil-images/mine/4zg9) | Structural basis for inhibition of human autotaxin by four novel compounds | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ... | Authors: | Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F. | Deposit date: | 2015-04-22 | Release date: | 2015-10-14 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding. Mol.Pharmacol., 88, 2015
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5OYJ
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![BU of 5oyj by Molmil](/molmil-images/mine/5oyj) | Crystal structure of VEGFR-2 domains 4-5 in complex with DARPin D4b | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CACODYLATE ION, ... | Authors: | Piscitelli, C.L, Thieltges, K.M, Markovic-Mueller, S, Binz, H.K, Ballmer-Hofer, K. | Deposit date: | 2017-09-10 | Release date: | 2018-03-14 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Characterization of a drug-targetable allosteric site regulating vascular endothelial growth factor signaling. Angiogenesis, 21, 2018
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4Z9O
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![BU of 4z9o by Molmil](/molmil-images/mine/4z9o) | Crystal Structure of human GGT1 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | Authors: | Terzyan, S.S, Hanigan, M.H. | Deposit date: | 2015-04-10 | Release date: | 2015-06-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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4ZBK
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![BU of 4zbk by Molmil](/molmil-images/mine/4zbk) | Crystal Structure of human GGT1 in complex with GGsTop inhibitor | Descriptor: | (2S)-2-amino-4-[(S)-hydroxy(methoxy)phosphoryl]butanoic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-14 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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6AQ5
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4ZC6
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![BU of 4zc6 by Molmil](/molmil-images/mine/4zc6) | Crystal Structure of human GGT1 in complex with Serine Borate | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Gamma-glutamyltranspeptidase 1 heavy chain, ... | Authors: | Terzyan, S, Hanigan, M. | Deposit date: | 2015-04-15 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Human gamma-Glutamyl Transpeptidase 1: STRUCTURES OF THE FREE ENZYME, INHIBITOR-BOUND TETRAHEDRAL TRANSITION STATES, AND GLUTAMATE-BOUND ENZYME REVEAL NOVEL MOVEMENT WITHIN THE ACTIVE SITE DURING CATALYSIS. J.Biol.Chem., 290, 2015
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5PRL
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![BU of 5prl by Molmil](/molmil-images/mine/5prl) | PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 93) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION | Authors: | Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | Deposit date: | 2017-02-07 | Release date: | 2017-03-29 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density. Nat Commun, 8, 2017
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