5UEH
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![BU of 5ueh by Molmil](/molmil-images/mine/5ueh) | Structure of GSTO1 covalently conjugated to quinolinic acid fluorosulfate | Descriptor: | 2-(4-chlorophenyl)-6-[(fluorosulfonyl)oxy]quinoline-4-carboxylic acid, GLYCEROL, Glutathione S-transferase omega-1, ... | Authors: | Mortenson, D.E, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-02 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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3FBI
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![BU of 3fbi by Molmil](/molmil-images/mine/3fbi) | Structure of the Mediator submodule Med7N/31 | Descriptor: | Mediator of RNA polymerase II transcription subunit 31, Mediator of RNA polymerase II transcription subunit 7 | Authors: | Koschubs, T, Seizl, M, Lariviere, L, Kurth, F, Baumli, S, Martin, D.E, Cramer, P. | Deposit date: | 2008-11-19 | Release date: | 2008-12-16 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Identification, structure, and functional requirement of the Mediator submodule Med7N/31 Embo J., 28, 2009
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5U7C
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![BU of 5u7c by Molmil](/molmil-images/mine/5u7c) | Crystal structure of the lead-bound form of MerB formed from diethyllead. | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-12 | Release date: | 2017-01-11 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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5U82
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![BU of 5u82 by Molmil](/molmil-images/mine/5u82) | Crystal structure of a MerB-triethyltin complex | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-13 | Release date: | 2017-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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1SPA
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![BU of 1spa by Molmil](/molmil-images/mine/1spa) | ROLE OF ASP222 IN THE CATALYTIC MECHANISM OF ESCHERICHIA COLI ASPARTATE AMINOTRANSFERASE: THE AMINO ACID RESIDUE WHICH ENHANCES THE FUNCTION OF THE ENZYME-BOUND COENZYME PYRIDOXAL 5'-PHOSPHATE | Descriptor: | ASPARTATE AMINOTRANSFERASE, N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE | Authors: | Hinoue, Y, Yano, T, Metzler, D.E, Miyahara, I, Hirotsu, K, Kagamiyama, H. | Deposit date: | 1993-01-26 | Release date: | 1993-10-31 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Role of Asp222 in the catalytic mechanism of Escherichia coli aspartate aminotransferase: the amino acid residue which enhances the function of the enzyme-bound coenzyme pyridoxal 5'-phosphate. Biochemistry, 31, 1992
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3FDQ
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![BU of 3fdq by Molmil](/molmil-images/mine/3fdq) | |
5UT2
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![BU of 5ut2 by Molmil](/molmil-images/mine/5ut2) | JAK2 JH2 in complex with PRT062607 | Descriptor: | 2-{[(1R,2S)-2-aminocyclohexyl]amino}-4-{[3-(2H-1,2,3-triazol-2-yl)phenyl]amino}pyrimidine-5-carboxamide, ACETATE ION, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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5USZ
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![BU of 5usz by Molmil](/molmil-images/mine/5usz) | JAK2 JH2 in complex with JNJ-7706621 | Descriptor: | 4-({5-amino-1-[(2,6-difluorophenyl)carbonyl]-1H-1,2,4-triazol-3-yl}amino)benzenesulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Identification and Characterization of JAK2 Pseudokinase Domain Small Molecule Binders. ACS Med Chem Lett, 8, 2017
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5UT4
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![BU of 5ut4 by Molmil](/molmil-images/mine/5ut4) | JAK2 JH2 in complex with NVP-BSK805 | Descriptor: | 8-[3,5-difluoro-4-(morpholin-4-ylmethyl)phenyl]-2-(1-piperidin-4-yl-1H-pyrazol-4-yl)quinoxaline, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Puleo, D.E, Schlessinger, J. | Deposit date: | 2017-02-14 | Release date: | 2017-06-07 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | JAK2 JH2 Fluorescence Polarization Assay and Crystal Structures for Complexes with Three Small Molecules. ACS Med Chem Lett, 8, 2017
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3G4X
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![BU of 3g4x by Molmil](/molmil-images/mine/3g4x) | Crystal Structure of NiSOD Y9F mutant | Descriptor: | CHLORIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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5UI4
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![BU of 5ui4 by Molmil](/molmil-images/mine/5ui4) | Structure of NME1 covalently conjugated to imidazole fluorosulfate | Descriptor: | 4-[4-(3-methoxyphenyl)-1-(prop-2-yn-1-yl)-1H-imidazol-5-yl]phenyl sulfurofluoridate, Nucleoside diphosphate kinase A | Authors: | Mortenson, D.E, Brighty, G.J, Wilson, I.A, Kelly, J.W. | Deposit date: | 2017-01-12 | Release date: | 2018-01-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | "Inverse Drug Discovery" Strategy To Identify Proteins That Are Targeted by Latent Electrophiles As Exemplified by Aryl Fluorosulfates. J. Am. Chem. Soc., 140, 2018
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3G6H
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![BU of 3g6h by Molmil](/molmil-images/mine/3g6h) | Src Thr338Ile inhibited in the DFG-Asp-Out conformation | Descriptor: | N-{4-methyl-3-[(3-{4-[(3,4,5-trimethoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]phenyl}-3-(trifluoromethyl)benzamide, Proto-oncogene tyrosine-protein kinase Src | Authors: | Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J. | Deposit date: | 2009-02-06 | Release date: | 2009-03-24 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations Cancer Res., 69, 2009
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3G0Z
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![BU of 3g0z by Molmil](/molmil-images/mine/3g0z) | Structure of S. pombe Pop2p - Zn2+ and Mn2+ bound form | Descriptor: | CCR4-Not complex subunit Caf1, MANGANESE (II) ION, ZINC ION | Authors: | Andersen, K.R, Jonstrup, A.T, Van, L.B, Brodersen, D.E. | Deposit date: | 2009-01-29 | Release date: | 2009-03-31 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.004 Å) | Cite: | The activity and selectivity of fission yeast Pop2p are affected by a high affinity for Zn2+ and Mn2+ in the active site Rna, 15, 2009
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3G4Z
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![BU of 3g4z by Molmil](/molmil-images/mine/3g4z) | Crystal Structure of NiSOD Y9F mutant at 1.9 A | Descriptor: | BROMIDE ION, NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.87 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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2CCM
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![BU of 2ccm by Molmil](/molmil-images/mine/2ccm) | X-ray structure of Calexcitin from Loligo pealeii at 1.8A | Descriptor: | CALCIUM ION, CALEXCITIN | Authors: | Erskine, P.T, Beaven, G.D.E, Wood, S.P, Fox, G, Vernon, J, Giese, K.P, Cooper, J.B. | Deposit date: | 2006-01-16 | Release date: | 2006-01-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the Neuronal Protein Calexcitin Suggests a Mode of Interaction in Signalling Pathways of Learning and Memory. J.Mol.Biol., 357, 2006
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3PSR
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![BU of 3psr by Molmil](/molmil-images/mine/3psr) | |
3I2T
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![BU of 3i2t by Molmil](/molmil-images/mine/3i2t) | Crystal structure of the unliganded Drosophila Epidermal Growth Factor Receptor ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Epidermal growth factor receptor, ... | Authors: | Alvarado, D, Klein, D.E, Lemmon, M.A. | Deposit date: | 2009-06-29 | Release date: | 2009-09-08 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | ErbB2 resembles an autoinhibited invertebrate epidermal growth factor receptor. Nature, 461, 2009
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3PXN
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![BU of 3pxn by Molmil](/molmil-images/mine/3pxn) | Crystal structure of the Drosophila kinesin family member Kin10/NOD in complex with divalent manganese and ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein Nod, MANGANESE (II) ION | Authors: | Cochran, J.C, Zhao, Y.C, Wilcox, D.E, Kull, F.J. | Deposit date: | 2010-12-10 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A metal switch for controlling the activity of molecular motor proteins. Nat.Struct.Mol.Biol., 19, 2012
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5VTJ
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![BU of 5vtj by Molmil](/molmil-images/mine/5vtj) | Structure of Pin1 WW Domain Sequence 1 Substituted with [S,S]ACPC | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, SULFATE ION | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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3G50
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![BU of 3g50 by Molmil](/molmil-images/mine/3g50) | Crystal Structure of NiSOD D3A mutant at 1.9 A | Descriptor: | NICKEL (II) ION, Superoxide dismutase [Ni] | Authors: | Garman, S.C, Guce, A.I, Herbst, R.W, Bryngelson, P.A, Cabelli, D.E, Higgins, K.A, Ryan, K.C, Maroney, M.J. | Deposit date: | 2009-02-04 | Release date: | 2009-04-28 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Role of conserved tyrosine residues in NiSOD catalysis: a case of convergent evolution Biochemistry, 48, 2009
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5VTI
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![BU of 5vti by Molmil](/molmil-images/mine/5vti) | Structure of Pin1 WW Domain Sequence 3 with [R,R]-ACPC Loop Substitution | Descriptor: | CHLORIDE ION, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Authors: | Mortenson, D.E, Kreitler, D.F, Thomas, N.C, Gellman, S.H, Forest, K.T. | Deposit date: | 2017-05-17 | Release date: | 2018-02-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Evaluation of beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem, 19, 2018
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5U88
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![BU of 5u88 by Molmil](/molmil-images/mine/5u88) | Crystal structure of a MerB-triimethyllead complex. | Descriptor: | ACETATE ION, Alkylmercury lyase, Trimethyllead bromide | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-14 | Release date: | 2017-01-11 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.801 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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5U7B
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![BU of 5u7b by Molmil](/molmil-images/mine/5u7b) | Crystal structure of a the tin-bound form of MerB formed from Diethyltin. | Descriptor: | ACETATE ION, Alkylmercury lyase, BROMIDE ION, ... | Authors: | Wahba, H.M, Stevenson, M, Mansour, A, Sygusch, J, Wilcox, D.E, Omichinski, J.G. | Deposit date: | 2016-12-12 | Release date: | 2017-01-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Characterization of Organotin and Organolead Compounds Binding to the Organomercurial Lyase MerB Provide New Insights into Its Mechanism of Carbon-Metal Bond Cleavage. J. Am. Chem. Soc., 139, 2017
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3QI2
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![BU of 3qi2 by Molmil](/molmil-images/mine/3qi2) | A Galpha P-loop mutation prevents transition to the activated state: G42R bound to RGS14 GoLoco | Descriptor: | GLYCEROL, GUANOSINE-5'-DIPHOSPHATE, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Bosch, D.E, Willard, F.S, Kimple, A.J, Miley, M.J, Siderovski, D.P. | Deposit date: | 2011-01-26 | Release date: | 2012-02-01 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.797 Å) | Cite: | A P-loop Mutation in Galpha Subunits Prevents Transition to the Active State: Implications for G-protein Signaling in Fungal Pathogenesis Plos Pathog., 8, 2012
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3FRU
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![BU of 3fru by Molmil](/molmil-images/mine/3fru) | NEONATAL FC RECEPTOR, PH 6.5 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-2-MICROGLOBULIN, BETA-MERCAPTOETHANOL, ... | Authors: | Vaughn, D.E, Burmeister, W.P, Bjorkman, P.J. | Deposit date: | 1997-12-22 | Release date: | 1998-06-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural basis of pH-dependent antibody binding by the neonatal Fc receptor. Structure, 6, 1998
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