4L5Y
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![BU of 4l5y by Molmil](/molmil-images/mine/4l5y) | Methylthioadenosine phosphorylase from Schistosoma mansoni in APO form | Descriptor: | PHOSPHATE ION, S-methyl-5'-thioadenosine phosphorylase | Authors: | Torini, J.R, DeMarco, R, Brandao-Neto, J, Pereira, H.M. | Deposit date: | 2013-06-11 | Release date: | 2014-06-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.0957 Å) | Cite: | Crystal Structure of Schistosoma mansoni Adenosine Phosphorylase/5'-Methylthioadenosine Phosphorylase and Its Importance on Adenosine Salvage Pathway. Plos Negl Trop Dis, 10, 2016
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4LE4
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![BU of 4le4 by Molmil](/molmil-images/mine/4le4) | Crystal structure of PaGluc131A with cellotriose | Descriptor: | Beta-glucanase, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | Deposit date: | 2013-06-25 | Release date: | 2013-09-11 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose To be Published
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5IBS
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![BU of 5ibs by Molmil](/molmil-images/mine/5ibs) | Structure of E76Q, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | Deposit date: | 2016-02-22 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.32 Å) | Cite: | Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2. Biochemistry, 55, 2016
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5ZZN
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![BU of 5zzn by Molmil](/molmil-images/mine/5zzn) | Crystal structure of photosystem II from an SQDG-deficient mutant of Thermosynechococcus elongatus | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Nakajima, Y, Umena, Y, Nagao, R, Endo, K, Kobayashi, K, Akita, F, Suga, M, Wada, H, Noguchi, T, Shen, J.R. | Deposit date: | 2018-06-03 | Release date: | 2018-08-01 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Thylakoid membrane lipid sulfoquinovosyl-diacylglycerol (SQDG) is required for full functioning of photosystem II inThermosynechococcus elongatus. J. Biol. Chem., 293, 2018
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5IBM
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![BU of 5ibm by Molmil](/molmil-images/mine/5ibm) | Structure of S502P, a Cancer-Associated Mutation of the Oncogenic Phosphatase SHP2 | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | Deposit date: | 2016-02-22 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.18 Å) | Cite: | Structural and Functional Consequences of Three Cancer-Associated Mutations of the Oncogenic Phosphatase SHP2. Biochemistry, 55, 2016
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4JIU
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![BU of 4jiu by Molmil](/molmil-images/mine/4jiu) | Crystal structure of the metallopeptidase zymogen of Pyrococcus abyssi abylysin | Descriptor: | GLYCEROL, Proabylysin, ZINC ION | Authors: | Lopez-Pelegrin, M, Cerda-Costa, N, Martinez-Jimenez, F, Cintas-Pedrola, A, Canals, A, Peinado, J.R, Marti-Renom, M.A, Lopez-Otin, C, Arolas, J.L, Gomis-Ruth, F.X. | Deposit date: | 2013-03-07 | Release date: | 2013-06-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | A novel family of soluble minimal scaffolds provides structural insight into the catalytic domains of integral membrane metallopeptidases J.Biol.Chem., 288, 2013
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6BLW
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![BU of 6blw by Molmil](/molmil-images/mine/6blw) | |
6BKW
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![BU of 6bkw by Molmil](/molmil-images/mine/6bkw) | BTK complex with compound 12 | Descriptor: | GLYCEROL, N-(3-{5-[(1,5-dimethyl-1H-pyrazol-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridazin-3-yl}-2,6-difluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide, SULFATE ION, ... | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-09 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.499 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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5GTI
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![BU of 5gti by Molmil](/molmil-images/mine/5gti) | Native XFEL structure of photosystem II (two flash dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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4LE3
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![BU of 4le3 by Molmil](/molmil-images/mine/4le3) | Crystal structure of a GH131 beta-glucanase catalytic domain from Podospora anserina | Descriptor: | Beta-glucanase | Authors: | Jiang, T, Chan, H.C, Huang, C.H, Ko, T.P, Huang, T.Y, Liu, J.R, Guo, R.T. | Deposit date: | 2013-06-25 | Release date: | 2013-09-11 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structures of a GH131 beta-Glucanase Catalytic Domain from Podospora anserina in Complex with Cellotriose To be Published
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5H2F
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![BU of 5h2f by Molmil](/molmil-images/mine/5h2f) | Crystal structure of the PsbM-deletion mutant of photosystem II | Descriptor: | (3R)-beta,beta-caroten-3-ol, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ... | Authors: | Uto, S, Kawakami, K, Umena, Y, Iwai, M, Ikeuchi, M, Shen, J.R, Kamiya, N. | Deposit date: | 2016-10-15 | Release date: | 2017-03-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Mutual relationships between structural and functional changes in a PsbM-deletion mutant of photosystem II. Faraday Discuss., 198, 2017
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5GTH
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![BU of 5gth by Molmil](/molmil-images/mine/5gth) | Native XFEL structure of photosystem II (dark dataset) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Suga, M, Shen, J.R. | Deposit date: | 2016-08-20 | Release date: | 2017-03-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Light-induced structural changes and the site of O=O bond formation in PSII caught by XFEL. Nature, 543, 2017
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6BN5
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![BU of 6bn5 by Molmil](/molmil-images/mine/6bn5) | Non-receptor Protein Tyrosine Phosphatase SHP2 F285S in Complex with Allosteric Inhibitor JLR-2 | Descriptor: | 3-benzyl-8-chloro-2-hydroxy-4H-pyrimido[2,1-b][1,3]benzothiazol-4-one, Tyrosine-protein phosphatase non-receptor type 11 | Authors: | Blacklow, S.C, Stams, T, Fodor, M, LaRochelle, J.R. | Deposit date: | 2017-11-16 | Release date: | 2017-12-13 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Identification of an allosteric benzothiazolopyrimidone inhibitor of the oncogenic protein tyrosine phosphatase SHP2. Bioorg. Med. Chem., 25, 2017
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4J0B
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![BU of 4j0b by Molmil](/molmil-images/mine/4j0b) | Structure of mitochondrial Hsp90 (TRAP1) with ADP-BeF3 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, COBALT (II) ION, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-30 | Release date: | 2014-01-22 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.352 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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5IUZ
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![BU of 5iuz by Molmil](/molmil-images/mine/5iuz) | STRUCTURE OF P450 2B4 F202W MUTANT (CYMAL-5) | Descriptor: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Jang, H.-H, Halpert, J.R, Shah, M.B. | Deposit date: | 2016-03-18 | Release date: | 2016-06-08 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Effect of detergent binding on cytochrome P450 2B4 structure as analyzed by X-ray crystallography and deuterium-exchange mass spectrometry. Biophys.Chem., 216, 2016
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4IVG
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![BU of 4ivg by Molmil](/molmil-images/mine/4ivg) | Crystal structure of mitochondrial Hsp90 (TRAP1) NTD-Middle domain dimer with AMPPNP | Descriptor: | MAGNESIUM ION, PHOSPHATE ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Partridge, J.R, Lavery, L.A, Agard, D.A. | Deposit date: | 2013-01-22 | Release date: | 2014-01-22 | Last modified: | 2014-08-27 | Method: | X-RAY DIFFRACTION (1.749 Å) | Cite: | Structural asymmetry in the closed state of mitochondrial Hsp90 (TRAP1) supports a two-step ATP hydrolysis mechanism. Mol.Cell, 53, 2014
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5JN2
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![BU of 5jn2 by Molmil](/molmil-images/mine/5jn2) | Crystal structure of TgCDPK1 bound to NVPACU106 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, Calmodulin-domain protein kinase 1, ... | Authors: | El Bakkouri, M, Walker, J.R, Loppnau, P, Graslund, S, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Hui, R, Lovato, D.V, Structural Genomics Consortium (SGC) | Deposit date: | 2016-04-29 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of TgCDPK1 bound to NVPACU106 To Be Published
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6BKE
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![BU of 6bke by Molmil](/molmil-images/mine/6bke) | BTK complex with compound 10 | Descriptor: | N-[2-(2-hydroxyethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L, Wang, G.X. | Deposit date: | 2017-11-08 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BIK
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![BU of 6bik by Molmil](/molmil-images/mine/6bik) | BTK complex with compound 7 | Descriptor: | 4-tert-butyl-N-[2-(hydroxymethyl)-3-(1-methyl-5-{[5-(morpholine-4-carbonyl)pyridin-2-yl]amino}-6-oxo-1,6-dihydropyridazin-3-yl)phenyl]benzamide, GLYCEROL, SULFATE ION, ... | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-02 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6BKH
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![BU of 6bkh by Molmil](/molmil-images/mine/6bkh) | BTK complex with compound 11 | Descriptor: | N-[2-(hydroxymethyl)-3-{5-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1,6-dihydropyridazin-3-yl}phenyl]-1-benzothiophene-2-carboxamide, SULFATE ION, Tyrosine-protein kinase BTK | Authors: | Kiefer, J.R, Eigenbrot, C, Yu, C.L. | Deposit date: | 2017-11-08 | Release date: | 2018-11-07 | Last modified: | 2019-03-27 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Water molecules in protein-ligand interfaces. Evaluation of software tools and SAR comparison. J. Comput. Aided Mol. Des., 33, 2019
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6B74
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![BU of 6b74 by Molmil](/molmil-images/mine/6b74) | |
4MAB
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![BU of 4mab by Molmil](/molmil-images/mine/4mab) | Resolving Cys to Ala variant of Salmonella Alkyl Hydroperoxide Reductase C in its substrate-ready conformation | Descriptor: | Alkyl hydroperoxide reductase subunit C, CHLORIDE ION, GLYCEROL, ... | Authors: | Perkins, A, Nelson, K.J, Williams, J.R, Poole, L.B, Karplus, P.A. | Deposit date: | 2013-08-15 | Release date: | 2013-11-20 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The sensitive balance between the fully folded and locally unfolded conformations of a model peroxiredoxin. Biochemistry, 52, 2013
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6BQM
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![BU of 6bqm by Molmil](/molmil-images/mine/6bqm) | Secreted serine protease VesC from Vibrio cholerae | Descriptor: | serine protease VesC | Authors: | Park, Y.J, Korotkov, K.V, Delarosa, J.R, Turley, S, DiMaio, F, Hol, W.G.J. | Deposit date: | 2017-11-28 | Release date: | 2018-11-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Suppressor Mutations in Type II Secretion Mutants of Vibrio cholerae: Inactivation of the VesC Protease. Msphere, 5, 2020
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4LT1
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![BU of 4lt1 by Molmil](/molmil-images/mine/4lt1) | HEWL co-crystallised with Carboplatin in non-NaCl conditions: crystal 1 processed using the XDS software package | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Diederichs, K, Kroon-Batenburg, L.M.J, Schreurs, A.M.M, Helliwell, J.R. | Deposit date: | 2013-07-23 | Release date: | 2014-07-23 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Carboplatin binding to a model protein in non-NaCl conditions to eliminate partial conversion to cisplatin, and the use of different criteria to choose the resolution limit To be Published
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4K9J
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![BU of 4k9j by Molmil](/molmil-images/mine/4k9j) | Structure of Re(CO)3(4,7-dimethyl-phen)(Thr126His)(Lys122Trp)(His83Glu)(Trp48Phe)(Tyr72Phe)(Tyr108Phe)AzCu(II), a Rhenium modified Azurin mutant | Descriptor: | (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I), Azurin, COPPER (II) ION | Authors: | Takematsu, K, Williamson, H.R, Blanco-Rodriguez, A.M, Sokolova, L, Nikolovski, P, Kaiser, J.T, Towrie, M, Clark, I.P, Vlcek Jr, A, Winkler, J.R, Gray, H.B. | Deposit date: | 2013-04-20 | Release date: | 2013-10-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Tryptophan-accelerated electron flow across a protein-protein interface. J.Am.Chem.Soc., 135, 2013
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