6D81
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![BU of 6d81 by Molmil](/molmil-images/mine/6d81) | Structure of the Bovine p85a BH domain | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, SULFATE ION | Authors: | Moore, S.A, Marshall, J.D, Anderson, D.H. | Deposit date: | 2018-04-25 | Release date: | 2018-05-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.248 Å) | Cite: | Patient-derived mutations within the N-terminal domains of p85 alpha impact PTEN or Rab5 binding and regulation. Sci Rep, 8, 2018
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3H64
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![BU of 3h64 by Molmil](/molmil-images/mine/3h64) | Catalytic domain of human Serine/Threonine Phosphatase 5 (PP5c) with two Mn2+ atoms complexed with endothall | Descriptor: | (1R,2S,3R,4S)-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid, MANGANESE (II) ION, Serine/threonine-protein phosphatase 5 | Authors: | Bertini, I, Calderone, V, Fragai, M, Luchinat, C, Talluri, E. | Deposit date: | 2009-04-23 | Release date: | 2009-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural basis of serine/threonine phosphatase inhibition by the archetypal small molecules cantharidin and norcantharidin J.Med.Chem., 52, 2009
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6DD4
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![BU of 6dd4 by Molmil](/molmil-images/mine/6dd4) | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor | Descriptor: | (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-dipropyl-7,8-dihydropteridin-6(5H)-one, ACETATE ION, CHLORIDE ION, ... | Authors: | dos Reis, C.V, Santiago, A.S, de Souza, G.P, Counago, R.M, Azevedo, A, Guimaraes, C, Mascarello, A, Gama, F, Ferreira, M, Massirer, K.B, Arruda, P, Edwards, A.M, Elkins, J.M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-05-09 | Release date: | 2018-05-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Human vaccinia-related kinase bound to a N,N-dipropyl-dihydropteridine inhibitor To Be Published
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6DEI
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![BU of 6dei by Molmil](/molmil-images/mine/6dei) | Structure of Dse3-Csm1 complex | Descriptor: | ACETATE ION, Monopolin complex subunit CSM1, Protein DSE3, ... | Authors: | Singh, N, Corbett, K.D. | Deposit date: | 2018-05-12 | Release date: | 2018-10-03 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.699 Å) | Cite: | The budding-yeast RWD protein Csm1 scaffolds diverse protein complexes through a conserved structural mechanism. Protein Sci., 27, 2018
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6D8H
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![BU of 6d8h by Molmil](/molmil-images/mine/6d8h) | |
6DCR
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![BU of 6dcr by Molmil](/molmil-images/mine/6dcr) | |
6D8T
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![BU of 6d8t by Molmil](/molmil-images/mine/6d8t) | |
5K33
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![BU of 5k33 by Molmil](/molmil-images/mine/5k33) | Crystal structure of extracellular domain of HER2 in complex with Fcab STAB19 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Ig gamma-1 chain C region, ... | Authors: | Humm, A, Lobner, E, Goritzer, K, Mlynek, G, Obinger, C, Djinovic-Carugo, K. | Deposit date: | 2016-05-19 | Release date: | 2017-04-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Fcab-HER2 Interaction: a Menage a Trois. Lessons from X-Ray and Solution Studies. Structure, 25, 2017
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6DEH
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![BU of 6deh by Molmil](/molmil-images/mine/6deh) | Structure of LpnE Effector Protein from Legionella pneumophila (sp. Philadelphia) | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, NICKEL (II) ION, ... | Authors: | Voth, K, Chung, I.Y.W, van Straaten, K.E, Cygler, M. | Deposit date: | 2018-05-11 | Release date: | 2018-12-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The structure of Legionella effector protein LpnE provides insights into its interaction with Oculocerebrorenal syndrome of Lowe (OCRL) protein. FEBS J., 286, 2019
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5JUE
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![BU of 5jue by Molmil](/molmil-images/mine/5jue) | Crystal Structure of UIC2 Fab | Descriptor: | GLYCEROL, heavy chain of UIC2 Fab, light chain of UIC2 Fab | Authors: | Xia, D, Esser, L. | Deposit date: | 2016-05-10 | Release date: | 2016-08-31 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Crystal structure of the antigen-binding fragment of a monoclonal antibody specific for the multidrug-resistance-linked ABC transporter human P-glycoprotein. Acta Crystallogr.,Sect.F, 72, 2016
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6DEP
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![BU of 6dep by Molmil](/molmil-images/mine/6dep) | Crystal structure of Candida albicans acetohydroxyacid synthase in complex with the herbicide sulfometuron methyl | Descriptor: | (3Z)-4-{[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]AMINO}-3-MERCAPTOPENT-3-EN-1-YL TRIHYDROGEN DIPHOSPHATE, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Acetolactate synthase, ... | Authors: | Garcia, M.D, Guddat, L.W. | Deposit date: | 2018-05-12 | Release date: | 2018-09-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Commercial AHAS-inhibiting herbicides are promising drug leads for the treatment of human fungal pathogenic infections. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7XPM
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![BU of 7xpm by Molmil](/molmil-images/mine/7xpm) | Ancestral ADH WT | Descriptor: | 1,2-ETHANEDIOL, A64 | Authors: | Chen, X.Y, Xu, G.C, Ni, Y. | Deposit date: | 2022-05-04 | Release date: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Crystal structure of a versatile ancestral ADH with high activity and thermostability To Be Published
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6D5G
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![BU of 6d5g by Molmil](/molmil-images/mine/6d5g) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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5K5O
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![BU of 5k5o by Molmil](/molmil-images/mine/5k5o) | Structure of AspA-26mer DNA complex | Descriptor: | AspA, DNA (26-MER) | Authors: | Schumacher, M. | Deposit date: | 2016-05-23 | Release date: | 2016-06-15 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structures of archaeal DNA segregation machinery reveal bacterial and eukaryotic linkages. Science, 349, 2015
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6D5V
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![BU of 6d5v by Molmil](/molmil-images/mine/6d5v) | Ras:SOS:Ras in complex with a small molecule activator | Descriptor: | 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine, GTPase HRas, MAGNESIUM ION, ... | Authors: | Phan, J, Hodges, T, Fesik, S.W. | Deposit date: | 2018-04-19 | Release date: | 2018-09-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Discovery and Structure-Based Optimization of Benzimidazole-Derived Activators of SOS1-Mediated Nucleotide Exchange on RAS. J. Med. Chem., 61, 2018
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7XVN
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![BU of 7xvn by Molmil](/molmil-images/mine/7xvn) | Structural basis for DNA recognition feature of retinoid-related orphan receptors | Descriptor: | DNA (5'-D(P*CP*AP*TP*GP*AP*CP*CP*TP*AP*CP*TP*GP*AP*CP*CP*TP*AP*G)-3'), DNA (5'-D(P*CP*TP*AP*GP*GP*TP*CP*AP*GP*TP*AP*GP*GP*TP*CP*AP*TP*G)-3'), Nuclear receptor ROR-gamma, ... | Authors: | Chen, Y, Jiang, L. | Deposit date: | 2022-05-24 | Release date: | 2023-11-29 | Last modified: | 2024-04-17 | Method: | X-RAY DIFFRACTION (2.302 Å) | Cite: | Structural characterization of the DNA binding mechanism of retinoic acid-related orphan receptor gamma. Structure, 32, 2024
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6DFP
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![BU of 6dfp by Molmil](/molmil-images/mine/6dfp) | Crystal Structure of a Tripartite Toxin Component VCA0883 from Vibrio cholerae | Descriptor: | VCA0883 | Authors: | Kim, Y, Maltseva, N, Endres, M, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-05-15 | Release date: | 2018-05-23 | Last modified: | 2022-07-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | A Genomic Island of Vibrio cholerae Encodes a Three-Component Cytotoxin with Monomer and Protomer Forms Structurally Similar to Alpha-Pore-Forming Toxins. J.Bacteriol., 204, 2022
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6D72
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![BU of 6d72 by Molmil](/molmil-images/mine/6d72) | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, MALONATE ION, ... | Authors: | Filippova, E.V, Minasov, G, Kiryukhina, O, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2018-04-23 | Release date: | 2018-05-16 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium ions. To Be Published
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7Y8L
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![BU of 7y8l by Molmil](/molmil-images/mine/7y8l) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 5-[2,5-bis(fluoranyl)phenyl]-3,4-dihydro-2~{H}-pyrrole, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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6DH5
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![BU of 6dh5 by Molmil](/molmil-images/mine/6dh5) | Crystal structure of HIV-1 Protease NL4-3 V82I Mutant in complex with UMass6 | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-1-benzyl-2-hydroxypropyl]carbamate, Protease, SULFATE ION | Authors: | Lockbaum, G.J, Schiffer, C.A. | Deposit date: | 2018-05-18 | Release date: | 2018-12-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.008 Å) | Cite: | Structural Adaptation of Darunavir Analogues against Primary Mutations in HIV-1 Protease. ACS Infect Dis, 5, 2019
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7Y8M
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![BU of 7y8m by Molmil](/molmil-images/mine/7y8m) | Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole | Descriptor: | 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase | Authors: | Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T. | Deposit date: | 2022-06-24 | Release date: | 2023-06-28 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Engineered Imine Reductase for Larotrectinib Intermediate Manufacture Acs Catalysis, 12, 2022
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5K8A
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![BU of 5k8a by Molmil](/molmil-images/mine/5k8a) | NIST FAB | Descriptor: | Heavy chain, humanized Fab Lite chain | Authors: | Gallagher, D.T, Galvin, C.V, Karageorgos, I, Marino, J.P. | Deposit date: | 2016-05-27 | Release date: | 2017-08-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.999 Å) | Cite: | Data on crystal organization in the structure of the Fab fragment from the NIST reference antibody, RM 8671. Data Brief, 16, 2018
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6DHS
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![BU of 6dhs by Molmil](/molmil-images/mine/6dhs) | Structure of hnRNP H qRRM1,2 | Descriptor: | Heterogeneous nuclear ribonucleoprotein H | Authors: | Meagher, J.L, Stuckey, J.A. | Deposit date: | 2018-05-21 | Release date: | 2018-09-12 | Last modified: | 2019-12-18 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Differential Conformational Dynamics Encoded by the Inter-qRRM linker of hnRNP H. J. Am. Chem. Soc., 2018
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6D3W
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![BU of 6d3w by Molmil](/molmil-images/mine/6d3w) | Chromosomal trehalose-6-phosphate phosphatase from P. aeruginosa | Descriptor: | 1,2-ETHANEDIOL, ACETIC ACID, CALCIUM ION, ... | Authors: | Hofmann, A, Cross, M, Park, S.-Y. | Deposit date: | 2018-04-17 | Release date: | 2018-05-09 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Trehalose 6-phosphate phosphatases of Pseudomonas aeruginosa. FASEB J., 32, 2018
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6D4B
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![BU of 6d4b by Molmil](/molmil-images/mine/6d4b) | Crystal structure of Candida boidinii formate dehydrogenase V123A mutant complexed with NAD+ and azide | Descriptor: | AZIDE ION, CHLORIDE ION, Formate dehydrogenase, ... | Authors: | Guo, Q, Ye, H, Gakhar, L, Cheatum, C.M, Kohen, A. | Deposit date: | 2018-04-17 | Release date: | 2019-04-24 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Oscillatory Active-site Motions Correlate with Kinetic Isotope Effects in Formate Dehydrogenase Acs Catalysis, 2019
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