9CYP
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![BU of 9cyp by Molmil](/molmil-images/mine/9cyp) | Crystal structure of I19V mutant human PTP1B (PTPN1) at room temperature (298 K) | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | Deposit date: | 2024-08-02 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy Biorxiv, 2024
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9CYQ
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![BU of 9cyq by Molmil](/molmil-images/mine/9cyq) | Crystal structure of Q78R mutant human PTP1B (PTPN1) at room temperature (298 K) | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | Deposit date: | 2024-08-02 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy Biorxiv, 2024
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1YD2
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![BU of 1yd2 by Molmil](/molmil-images/mine/1yd2) | Crystal structure of the GIY-YIG N-terminal endonuclease domain of UvrC from Thermotoga maritima: Point mutant Y19F bound to the catalytic divalent cation | Descriptor: | GLYCEROL, MANGANESE (II) ION, UvrABC system protein C | Authors: | Truglio, J.J, Rhau, B, Croteau, D.L, Wang, L, Skorvaga, M, Karakas, E, DellaVecchia, M.J, Wang, H, Van Houten, B, Kisker, C. | Deposit date: | 2004-12-23 | Release date: | 2005-03-01 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural insights into the first incision reaction during nucleotide excision repair Embo J., 24, 2005
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9CYR
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![BU of 9cyr by Molmil](/molmil-images/mine/9cyr) | Crystal structure of D245G mutant human PTP1B (PTPN1) at room temperature (298 K) | Descriptor: | BETA-MERCAPTOETHANOL, MAGNESIUM ION, Tyrosine-protein phosphatase non-receptor type 1 | Authors: | Ebrahim, A, Perdikari, A, Woods, V.A, Lawler, K, Bounds, R, Singh, N.I, Mehlman, T, Riley, B.T, Sharma, S, Morris, J.W, Keogh, J.M, Henning, E, Smith, M, Farooqi, I.S, Keedy, D.A. | Deposit date: | 2024-08-02 | Release date: | 2024-08-21 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structures of human PTP1B variants reveal allosteric sites to target for weight loss therapy Biorxiv, 2024
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5W7V
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![BU of 5w7v by Molmil](/molmil-images/mine/5w7v) | |
5F91
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![BU of 5f91 by Molmil](/molmil-images/mine/5f91) | Fumarate hydratase of Mycobacterium tuberculosis in complex with formate and allosteric modulator (N-(5-(azepan-1-ylsulfonyl)-2-methoxyphenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide) | Descriptor: | CHLORIDE ION, FORMIC ACID, Fumarate hydratase class II, ... | Authors: | Kasbekar, M, Fischer, G, Mott, B.T, Yasgar, A, Hyvonen, M, Boshoff, H.I, Abell, C, Barry, C.E, Thomas, C.J. | Deposit date: | 2015-12-09 | Release date: | 2016-06-22 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.998 Å) | Cite: | Selective small molecule inhibitor of the Mycobacterium tuberculosis fumarate hydratase reveals an allosteric regulatory site. Proc.Natl.Acad.Sci.USA, 113, 2016
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5FBH
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![BU of 5fbh by Molmil](/molmil-images/mine/5fbh) | Crystal structure of the extracellular domain of human calcium sensing receptor with bound Gd3+ | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BICARBONATE ION, CHLORIDE ION, ... | Authors: | Zhang, T, Zhang, C, Miller, C.L, Zou, J, Moremen, K.W, Brown, E.M, Yang, J.J, Hu, J. | Deposit date: | 2015-12-14 | Release date: | 2016-06-22 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for regulation of human calcium-sensing receptor by magnesium ions and an unexpected tryptophan derivative co-agonist. Sci Adv, 2, 2016
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4QCI
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![BU of 4qci by Molmil](/molmil-images/mine/4qci) | PDGF-B blocking antibody bound to PDGF-BB | Descriptor: | Platelet-derived growth factor subunit B, anti-PDGF-BB antibody - Light Chain, anti-PDGF-BB antibody - Heavy chain | Authors: | Kuai, J, Mosyak, L, Tam, M, LaVallie, E, Pullen, N, Carven, G. | Deposit date: | 2014-05-12 | Release date: | 2015-03-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Characterization of Binding Mode of Action of a Blocking Anti-Platelet-Derived Growth Factor (PDGF)-B Monoclonal Antibody, MOR8457, Reveals Conformational Flexibility and Avidity Needed for PDGF-BB To Bind PDGF Receptor-beta. Biochemistry, 54, 2015
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5W8N
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6AXM
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![BU of 6axm by Molmil](/molmil-images/mine/6axm) | F95Y Epi-isozizaene synthase | Descriptor: | Epi-isozizaene synthase, MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, ... | Authors: | Blank, P.N, Barrow, G.H, Christianson, D.W. | Deposit date: | 2017-09-07 | Release date: | 2017-10-18 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Substitution of Aromatic Residues with Polar Residues in the Active Site Pocket of epi-Isozizaene Synthase Leads to the Generation of New Cyclic Sesquiterpenes. Biochemistry, 56, 2017
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6T13
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![BU of 6t13 by Molmil](/molmil-images/mine/6t13) | CRYSTAL STRUCTURE OF GLUCOCEREBROSIDASE IN COMPLEX WITH A PYRROLOPYRAZINE | Descriptor: | 1,2-ETHANEDIOL, 1-[4-[2-(4-methoxyphenyl)-5-methyl-pyrrolo[2,3-b]pyrazin-6-yl]piperidin-1-yl]ethanone, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Benz, J, Ehler, A, Hug, M, Huber, S, Rufer, A.C, Guba, W, Jagasia, R, Hofmann, E.C, Rodriguez Sarmiento, R.M. | Deposit date: | 2019-10-03 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Novel beta-Glucocerebrosidase Activators That Bind to a New Pocket at a Dimer Interface and Induce Dimerization. Angew.Chem.Int.Ed.Engl., 60, 2021
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3CWW
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![BU of 3cww by Molmil](/molmil-images/mine/3cww) | Crystal Structure of IDE-bradykinin complex | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ACETATE ION, Insulin-degrading enzyme, ... | Authors: | Malito, E, Tang, W.J. | Deposit date: | 2008-04-23 | Release date: | 2008-11-25 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular Bases for the Recognition of Short Peptide Substrates and Cysteine-Directed Modifications of Human Insulin-Degrading Enzyme Biochemistry, 47, 2008
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3LAW
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![BU of 3law by Molmil](/molmil-images/mine/3law) | Structure of GTP-bound L129F mutant Rab7 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rab-7a | Authors: | McCray, B.A, Skordalakes, E, Taylor, J.P. | Deposit date: | 2010-01-07 | Release date: | 2010-01-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Disease mutations in Rab7 result in unregulated nucleotide exchange and inappropriate activation. Hum.Mol.Genet., 19, 2010
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1DZ0
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![BU of 1dz0 by Molmil](/molmil-images/mine/1dz0) | REDUCED AZURIN II FROM ALCALIGENES XYLOSOXIDANS | Descriptor: | AZURIN II, COPPER (I) ION | Authors: | Dodd, F.E, Abraham, Z.H.L, Eady, R.R, Hasnain, S.S. | Deposit date: | 2000-02-11 | Release date: | 2000-07-04 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structures of Oxidised and Reduced Azurin II from Alcaligenes Xylosoxidans at 1.75 Angstoms Resolution Acta Crystallogr.,Sect.D, 56, 2000
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5FTY
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![BU of 5fty by Molmil](/molmil-images/mine/5fty) | Structure of surface layer protein SbsC, domains 6-7 (monoclinic form) | Descriptor: | CALCIUM ION, SURFACE LAYER PROTEIN | Authors: | Dordic, A, Pavkov-Keller, T, Eder, M, Egelseer, E.M, Davis, K, Mills, D, Sleytr, U.B, Kuehlbrandt, W, Vonck, J, Keller, W. | Deposit date: | 2016-01-18 | Release date: | 2017-02-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure of Surface Layer Protein Sbsc, Domains 6-7 (Monoclinic Form) To be Published
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1YJ5
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![BU of 1yj5 by Molmil](/molmil-images/mine/1yj5) | Molecular architecture of mammalian polynucleotide kinase, a DNA repair enzyme | Descriptor: | 5' polynucleotide kinase-3' phosphatase FHA domain, 5' polynucleotide kinase-3' phosphatase catalytic domain, SULFATE ION | Authors: | Bernstein, N.K, Williams, R.S, Rakovszky, M.L, Cui, D, Green, R, Karimi-Busheri, F, Mani, R.S, Galicia, S, Koch, C.A, Cass, C.E, Durocher, D, Weinfeld, M, Glover, J.N.M. | Deposit date: | 2005-01-13 | Release date: | 2005-03-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The molecular architecture of the mammalian DNA repair enzyme, polynucleotide kinase. Mol.Cell, 17, 2005
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5VXR
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![BU of 5vxr by Molmil](/molmil-images/mine/5vxr) | The antigen-binding fragment of MAb24 in complex with a peptide from Hepatitis C Virus E2 epitope I (412-423) | Descriptor: | GLYCEROL, MAb24 Variable Heavy Chain,MAb24 Variable Heavy Chain, MAb24 Variable Light Chain,MAb24 Variable Light Chain, ... | Authors: | Hardy, J.M, Gu, J, Boo, I, Drummer, H.E, Coulibaly, F.J. | Deposit date: | 2017-05-24 | Release date: | 2018-02-21 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Escape of Hepatitis C Virus from Epitope I Neutralization Increases Sensitivity of Other Neutralization Epitopes. J. Virol., 92, 2018
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5FZ1
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![BU of 5fz1 by Molmil](/molmil-images/mine/5fz1) | Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 2,4-dichloro-N-pyridin-3-ylbenzamide (E48115b) (ligand modelled based on PANDDA event map) | Descriptor: | 1,2-ETHANEDIOL, 2,4-dichloro-N-(pyridin-3-yl)benzamide, DIMETHYL SULFOXIDE, ... | Authors: | Nowak, R, Krojer, T, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U. | Deposit date: | 2016-03-10 | Release date: | 2016-05-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with E48115B To be Published
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8DA1
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![BU of 8da1 by Molmil](/molmil-images/mine/8da1) | Crystal structure of Krait alpha-neurotoxin in complex with Centi-3FTX-D09 antibody | Descriptor: | Alpha-bungarotoxin, Centi-3FTX-D09 Fab heavy chain, Centi-3FTX-D09 Fab light chain | Authors: | Pletnev, S, Verardi, R, Tully, E.S, Glanville, J, Kwong, P.D. | Deposit date: | 2022-06-12 | Release date: | 2023-06-14 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Venom protection by antibody from a snakebite hyperimmune subject To Be Published
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3D0R
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![BU of 3d0r by Molmil](/molmil-images/mine/3d0r) | Crystal structure of calG3 from Micromonospora echinospora determined in space group P2(1) | Descriptor: | 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Protein CalG3 | Authors: | Bitto, E, Bingman, C.A, Wesenberg, G.E, Phillips Jr, G.N. | Deposit date: | 2008-05-02 | Release date: | 2008-06-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Biochemical and structural insights of the early glycosylation steps in calicheamicin biosynthesis. Chem.Biol., 15, 2008
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5W3Z
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![BU of 5w3z by Molmil](/molmil-images/mine/5w3z) | Crystal structure of SsoPox AsC6 mutant (L72I-Y99F-I122L-L228M-F229S-W263L) | Descriptor: | 1,2-ETHANEDIOL, Aryldialkylphosphatase, COBALT (II) ION, ... | Authors: | Hiblot, J, Gotthard, G, Jacquet, P, Daude, D, Bergonzi, C, Chabriere, E, Elias, M. | Deposit date: | 2017-06-08 | Release date: | 2018-01-10 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Rational engineering of a native hyperthermostable lactonase into a broad spectrum phosphotriesterase. Sci Rep, 7, 2017
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7FC9
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![BU of 7fc9 by Molmil](/molmil-images/mine/7fc9) | Crystal structure of CmABCB1 in lipidic mesophase revealed by LCP-SFX | Descriptor: | ACETATE ION, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Pan, D, Oyama, R, Sato, T, Nakane, T, Mizunuma, R, Matsuoka, K, Joti, Y, Tono, K, Nango, E, Iwata, S, Nakatsu, T, Kato, H. | Deposit date: | 2021-07-14 | Release date: | 2022-02-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of CmABCB1 multi-drug exporter in lipidic mesophase revealed by LCP-SFX. Iucrj, 9, 2022
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1YJK
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![BU of 1yjk by Molmil](/molmil-images/mine/1yjk) | Reduced Peptidylglycine Alpha-Hydroxylating Monooxygenase (PHM) in a New Crystal Form | Descriptor: | COPPER (II) ION, GLYCEROL, Peptidyl-glycine alpha-amidating monooxygenase | Authors: | Siebert, X, Eipper, B.A, Mains, R.E, Prigge, S.T, Blackburn, N.J, Amzel, L.M. | Deposit date: | 2005-01-14 | Release date: | 2005-11-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Catalytic Copper of Peptidylglycine alpha-Hydroxylating Monooxygenase also Plays a Critical Structural Role. Biophys.J., 89, 2005
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4CA5
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![BU of 4ca5 by Molmil](/molmil-images/mine/4ca5) | Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI | Descriptor: | 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, ACETATE ION, ... | Authors: | Masuyer, G, Akif, M, Czarny, B, Beau, F, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Dive, V, Acharya, K.R. | Deposit date: | 2013-10-07 | Release date: | 2013-12-11 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structures of Highly Specific Phosphinic Tripeptide Enantiomers in Complex with the Angiotensin-I Converting Enzyme. FEBS J., 281, 2014
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2IQD
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![BU of 2iqd by Molmil](/molmil-images/mine/2iqd) | Crystal Structure of Aldose Reductase complexed with Lipoic Acid | Descriptor: | Aldose reductase, LIPOIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Harrison, D.H.T, Carlson, E, Pape, E, Brownlee, J.M. | Deposit date: | 2006-10-13 | Release date: | 2006-11-28 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and thermodynamic studies of simple aldose reductase-inhibitor complexes. Bioorg.Chem., 34, 2006
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