3CMR
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![BU of 3cmr by Molmil](/molmil-images/mine/3cmr) | E. coli alkaline phosphatase mutant R166S in complex with phosphate | Descriptor: | Alkaline phosphatase, MAGNESIUM ION, PHOSPHATE ION, ... | Authors: | O'Brien, P.J, Lassila, J.K, Fenn, T.D, Zalatan, J.G, Herschlag, D. | Deposit date: | 2008-03-24 | Release date: | 2008-07-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Arginine coordination in enzymatic phosphoryl transfer: evaluation of the effect of Arg166 mutations in Escherichia coli alkaline phosphatase Biochemistry, 47, 2008
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8D5C
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![BU of 8d5c by Molmil](/molmil-images/mine/8d5c) | anti-HIV-1 gp120-sCD4 complex antibody CG10 Fab in complex with B41-sCD4 | Descriptor: | CG10 Fab heavy chain, CG10 Fab light chain, Envelope glycoprotein gp160, ... | Authors: | Yang, Z, Bjorkman, P.J, Gershoni, J.M. | Deposit date: | 2022-06-04 | Release date: | 2022-11-16 | Last modified: | 2023-01-04 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Antibody Recognition of CD4-Induced Open HIV-1 Env Trimers. J.Virol., 96, 2022
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1XK9
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![BU of 1xk9 by Molmil](/molmil-images/mine/1xk9) | Pseudomanas exotoxin A in complex with the PJ34 inhibitor | Descriptor: | Exotoxin A, N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE | Authors: | Yates, S.P, Taylor, P.J, Joergensen, R, Ferrraris, D, Zhang, J, Andersen, G.R, Merrill, A.R. | Deposit date: | 2004-09-28 | Release date: | 2005-05-17 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure-function analysis of water-soluble inhibitors of the catalytic domain of exotoxin A from Pseudomonas aeruginosa BIOCHEM.J., 385, 2005
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5AAF
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![BU of 5aaf by Molmil](/molmil-images/mine/5aaf) | Aurora A kinase bound to an imidazopyridine inhibitor (14a) | Descriptor: | 3-((4-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)-1H-pyrazol-1-yl)methyl)-N,N-dimethylbenzamide, AURORA KINASE A | Authors: | McIntyre, P.J, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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8G45
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![BU of 8g45 by Molmil](/molmil-images/mine/8g45) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with SGC-UBD253 chemical probe | Descriptor: | 3-[8-chloro-3-(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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5A3I
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![BU of 5a3i by Molmil](/molmil-images/mine/5a3i) | Crystal Structure of a Complex formed between FLD194 Fab and Transmissible Mutant H5 Haemagglutinin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ANTI-HAEMAGGLUTININ HA1 FAB HEAVY CHAIN, ... | Authors: | Xiong, X, Corti, D, Liu, J, Pinna, D, Foglierini, M, Calder, L.J, Martin, S.R, Lin, Y.P, Walker, P.A, Collins, P.J, Monne, I, Suguitan Jr, A.L, Santos, C, Temperton, N.J, Subbarao, K, Lanzavecchia, A, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2015-06-01 | Release date: | 2015-07-22 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Structures of Complexes Formed by H5 Influenza Hemagglutinin with a Potent Broadly Neutralizing Human Monoclonal Antibody. Proc.Natl.Acad.Sci.USA, 112, 2015
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1UXL
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![BU of 1uxl by Molmil](/molmil-images/mine/1uxl) | I113T mutant of human SOD1 | Descriptor: | COPPER (II) ION, SULFATE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Hough, M.A, Grossmann, J.G, Antonyuk, S.V, Strange, R.W, Doucette, P.A, Rodriguez, J.A, Whitson, L.J, Hart, P.J, Hayward, L.J, Valentine, J.S, Hasnain, S.S. | Deposit date: | 2004-02-25 | Release date: | 2004-03-19 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Dimer Destabilization in Superoxide Dismutase May Result in Disease-Causing Properties: Structures of Motor Neuron Disease Mutants Proc.Natl.Acad.Sci.USA, 101, 2004
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8G43
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![BU of 8g43 by Molmil](/molmil-images/mine/8g43) | Structure of HDAC6 zinc-finger ubiquitin binding domain in complex with 3-(3-(2-(methylamino)-2-oxoethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)propanoic acid | Descriptor: | 3-{3-[2-(methylamino)-2-oxoethyl]-4-oxo-3,4-dihydroquinazolin-2-yl}propanoic acid, Histone deacetylase 6, ZINC ION | Authors: | Harding, R.J, Franzoni, I, Mann, M.K, Szewczyk, M, Mirabi, B, Owens, D.D.G, Ackloo, S, Scheremetjew, A, Juarez-Ornelas, K.A, Sanichar, R, Baker, R.J, Dank, C, Brown, P.J, Barsyte-Lovejoy, D, Santhakumar, V, Schapira, M, Lautens, M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2023-02-08 | Release date: | 2023-05-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Discovery and Characterization of a Chemical Probe Targeting the Zinc-Finger Ubiquitin-Binding Domain of HDAC6. J.Med.Chem., 66, 2023
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8D54
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1C5F
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![BU of 1c5f by Molmil](/molmil-images/mine/1c5f) | CRYSTAL STRUCTURE OF THE CYCLOPHILIN-LIKE DOMAIN FROM BRUGIA MALAYI COMPLEXED WITH CYCLOSPORIN A | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 1 | Authors: | Ellis, P.J, Carlow, C.K.S, Ma, D, Kuhn, P. | Deposit date: | 1999-11-22 | Release date: | 1999-12-03 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Crystal Structure of the Complex of Brugia Malayi Cyclophilin and Cyclosporin A. Biochemistry, 39, 2000
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3DUH
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![BU of 3duh by Molmil](/molmil-images/mine/3duh) | Structure of Interleukin-23 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 subunit beta, Interleukin-23 subunit alpha | Authors: | Lupardus, P.J, Garcia, K.C. | Deposit date: | 2008-07-17 | Release date: | 2008-08-19 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The structure of interleukin-23 reveals the molecular basis of p40 subunit sharing with interleukin-12. J.Mol.Biol., 382, 2008
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1UZW
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![BU of 1uzw by Molmil](/molmil-images/mine/1uzw) | ISOPENICILLIN N SYNTHASE WITH L-D-(A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE | Descriptor: | D-(L-A-AMINOADIPOYL)-L-CYSTEINYL-D-ISODEHYDROVALINE, FE (II) ION, ISOPENICILLIN N SYNTHETASE, ... | Authors: | Grummitt, A.R, Rutledge, P.J, Clifton, I.J, Baldwin, J.E. | Deposit date: | 2004-03-17 | Release date: | 2004-06-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Active Site Mediated Elimination of Hydrogen Fluoride from a Fluorinated Substrate Analogue by Isopenicillin N Synthase Biochem.J., 382, 2004
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1UYU
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![BU of 1uyu by Molmil](/molmil-images/mine/1uyu) | Xenon COMPLEX OF wildtype P450CAM FROM PSEUDOMONAS PUTIDA | Descriptor: | CAMPHOR, CYTOCHROME P450-CAM, POTASSIUM ION, ... | Authors: | Wade, R.C, Winn, P.J, Schlichting, I, Sudarko, X. | Deposit date: | 2004-03-02 | Release date: | 2005-03-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Survey of Active Site Access Channels in Cytochromes P450 J.Inorg.Biochem., 98, 2004
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1W2Z
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![BU of 1w2z by Molmil](/molmil-images/mine/1w2z) | PSAO and Xenon | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, AMINE OXIDASE, COPPER CONTAINING, ... | Authors: | Duff, A.P, Trambaiolo, D.M, Cohen, A.E, Ellis, P.J, Juda, G.A, Shepard, E.M, Langley, D.B, Dooley, D.M, Freeman, H.C, Guss, J.M. | Deposit date: | 2004-07-11 | Release date: | 2004-11-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Using Xenon as a Probe for Dioxygen-Binding Sites in Copper Amine Oxidases. J.Mol.Biol., 344, 2004
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1VYX
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![BU of 1vyx by Molmil](/molmil-images/mine/1vyx) | Solution structure of the KSHV K3 N-terminal domain | Descriptor: | ORF K3, ZINC ION | Authors: | Dodd, R.B, Allen, M.D, Brown, S.E, Sanderson, C.M, Duncan, L.M, lehner, P.J, Bycroft, M, Read, R.J. | Deposit date: | 2004-05-07 | Release date: | 2004-10-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Solution Structure of the Kaposi'S Sarcoma-Associated Herpesvirus K3 N-Terminal Domain Reveals a Novel E2-Binding C4Hc3-Type Ring Domain J.Biol.Chem., 279, 2004
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7K8R
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![BU of 7k8r by Molmil](/molmil-images/mine/7k8r) | Crystal structure of an anti-SARS-CoV-2 human neutralizing antibody Fab fragment, C135 | Descriptor: | C135 Fab Heavy Chain, C135 Fab Light Chain, GLYCEROL | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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7K8Z
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![BU of 7k8z by Molmil](/molmil-images/mine/7k8z) | |
3DL2
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![BU of 3dl2 by Molmil](/molmil-images/mine/3dl2) | Hexagonal structure of the LDH domain of Human Ubiquitin-conjugating Enzyme E2-like Isoform A | Descriptor: | PHOSPHATE ION, SODIUM ION, Ubiquitin-conjugating enzyme E2 variant 3 | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Newman, E.M, Finerty Jr, P.J, Butler-Cole, C, Bountra, C, Wolkstrom, M, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2008-06-26 | Release date: | 2008-07-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Investigation Into the L-Lactate Dehydrogenase Domain of Human Ubiquitin-Conjugating Enzyme E2-Like Isoform A. To be Published
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6FR4
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![BU of 6fr4 by Molmil](/molmil-images/mine/6fr4) | 003 TCR Study of CDR Loop Flexibility | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ... | Authors: | Rizkallah, P.J, Cole, D.K. | Deposit date: | 2018-02-15 | Release date: | 2018-04-18 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility. Front Immunol, 9, 2018
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7JM2
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![BU of 7jm2 by Molmil](/molmil-images/mine/7jm2) | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin | Descriptor: | APRAMYCIN, Aminocyclitol acetyltransferase ApmA, CHLORIDE ION | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Bordeleau, E, Wright, G.D, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-07-30 | Release date: | 2020-09-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of aminoglycoside resistance enzyme ApmA, complex with apramycin To Be Published
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1NMC
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![BU of 1nmc by Molmil](/molmil-images/mine/1nmc) | COMPLEX BETWEEN NC10 ANTI-INFLUENZA VIRUS NEURAMINIDASE SINGLE CHAIN ANTIBODY WITH A 15 RESIDUE LINKER AND INFLUENZA VIRUS NEURAMINIDASE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE, ... | Authors: | Malby, R.L, Mccoy, A.J, Kortt, A.A, Hudson, P.J, Colman, P.M. | Deposit date: | 1997-12-21 | Release date: | 1998-09-23 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Three-dimensional structures of single-chain Fv-neuraminidase complexes. J.Mol.Biol., 279, 1998
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5AAD
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![BU of 5aad by Molmil](/molmil-images/mine/5aad) | Aurora A kinase bound to an imidazopyridine inhibitor (7a) | Descriptor: | 7-(1-benzyl-1H-pyrazol-4-yl)-6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridine, AURORA KINASE A, SULFATE ION | Authors: | McIntyre, P.J, Kosmopoulou, M, Bayliss, R. | Deposit date: | 2015-07-24 | Release date: | 2015-09-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | 7-(Pyrazol-4-Yl)-3H-Imidazo[4,5-B]Pyridine-Based Derivatives for Kinase Inhibition: Co-Crystallisation Studies with Aurora-A Reveal Distinct Differences in the Orientation of the Pyrazole N1-Substituent. Bioorg.Med.Chem.Lett., 25, 2015
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7K8M
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![BU of 7k8m by Molmil](/molmil-images/mine/7k8m) | Structure of the SARS-CoV-2 receptor binding domain in complex with the human neutralizing antibody Fab fragment, C102 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C102 Fab Heavy Chain, C102 Fab Light Chain, ... | Authors: | Jette, C.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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7K8V
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![BU of 7k8v by Molmil](/molmil-images/mine/7k8v) | Structure of the SARS-CoV-2 S 2P trimer in complex with the human neutralizing antibody Fab fragment, C110 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C110 Fab Heavy Chain, ... | Authors: | Dam, K.A, Barnes, C.O, Bjorkman, P.J. | Deposit date: | 2020-09-27 | Release date: | 2020-10-21 | Last modified: | 2021-01-13 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | SARS-CoV-2 neutralizing antibody structures inform therapeutic strategies. Nature, 588, 2020
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7KDE
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![BU of 7kde by Molmil](/molmil-images/mine/7kde) | |