3HV3
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![BU of 3hv3 by Molmil](/molmil-images/mine/3hv3) | Human p38 MAP Kinase in Complex with RL49 | Descriptor: | 1-{4-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(3-methylphenyl)-1H-pyrazol-5-yl]urea, GLYCEROL, Mitogen-activated protein kinase 14, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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3I0N
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![BU of 3i0n by Molmil](/molmil-images/mine/3i0n) | Structure of the S. pombe Nbs1 FHA/BRCT-repeat domain | Descriptor: | DNA repair and telomere maintenance protein nbs1, GLYCEROL | Authors: | Clapperton, J.A, Lloyd, J, Chapman, J.R, Jackson, S.P, Smerdon, S.J. | Deposit date: | 2009-06-25 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A supramodular FHA/BRCT-repeat architecture mediates Nbs1 adaptor function in response to DNA damage Cell(Cambridge,Mass.), 139, 2009
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3HUC
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![BU of 3huc by Molmil](/molmil-images/mine/3huc) | Human p38 MAP Kinase in Complex with RL40 | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Mitogen-activated protein kinase 14, N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide, ... | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-13 | Release date: | 2010-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Fluorophore labeling of the glycine-rich loop as a method of identifying inhibitors that bind to active and inactive kinase conformations. J.Am.Chem.Soc., 132, 2010
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3HV7
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![BU of 3hv7 by Molmil](/molmil-images/mine/3hv7) | Human p38 MAP Kinase in Complex with RL38 | Descriptor: | 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Getlik, M, Rauh, D. | Deposit date: | 2009-06-15 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Displacement assay for the detection of stabilizers of inactive kinase conformations. J.Med.Chem., 53, 2010
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3I2V
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![BU of 3i2v by Molmil](/molmil-images/mine/3i2v) | Crystal structure of human MOCS3 rhodanese-like domain | Descriptor: | Adenylyltransferase and sulfurtransferase MOCS3 | Authors: | Bacik, J.P, Walker, J.R, Lopez, L, Li, Y, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-29 | Release date: | 2009-07-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Crystal structure of the human MOCS3 rhodanese-like domain To be Published
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3I3T
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![BU of 3i3t by Molmil](/molmil-images/mine/3i3t) | Crystal structure of covalent ubiquitin-USP21 complex | Descriptor: | ETHANAMINE, Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 21, ... | Authors: | Neculai, D, Avvakumov, G.V, Walker, J.R, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-06-30 | Release date: | 2009-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | A strategy for modulation of enzymes in the ubiquitin system. Science, 339, 2013
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3IW6
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![BU of 3iw6 by Molmil](/molmil-images/mine/3iw6) | Human p38 MAP Kinase in Complex with a Benzylpiperazin-Pyrrol | Descriptor: | Mitogen-activated protein kinase 14, ethyl 4-[(4-benzylpiperazin-1-yl)carbonyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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3IDX
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![BU of 3idx by Molmil](/molmil-images/mine/3idx) | Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C222 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Fab b13 heavy chain, ... | Authors: | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-07-22 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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8FB4
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![BU of 8fb4 by Molmil](/molmil-images/mine/8fb4) | Structure of an alternating AT 16-mer bound by diamidine DB1476: 5'-GCTGGATATATCCAGC-3 | Descriptor: | 4,4'-(1H-benzimidazole-2,6-diyl)di(benzene-1-carboximidamide), CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*GP*AP*TP*AP*TP*AP*TP*CP*CP*AP*GP*C)-3') | Authors: | Terrell, J.R, Ogbonna, E.N, Wilson, W.D. | Deposit date: | 2022-11-29 | Release date: | 2023-02-22 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | X-ray Structure Characterization of the Selective Recognition of AT Base Pair Sequences. Acs Bio Med Chem Au, 3, 2023
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3ICS
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3IDY
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![BU of 3idy by Molmil](/molmil-images/mine/3idy) | Crystal structure of HIV-gp120 core in complex with CD4-binding site antibody b13, space group C2221 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab b13 heavy chain, Fab b13 light chain, ... | Authors: | Chen, L, Kwon, Y.D, Zhou, T, Wu, X, O'Dell, S, Cavacini, L, Hessell, A.J, Pancera, M, Tang, M, Xu, L, Yang, Z.Y, Zhang, M.Y, Arthos, J, Burton, D.R, Dimitrov, D.S, Nabel, G.J, Posner, M, Sodroski, J, Wyatt, R, Mascola, J.R, Kwong, P.D. | Deposit date: | 2009-07-22 | Release date: | 2009-11-17 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structural basis of immune evasion at the site of CD4 attachment on HIV-1 gp120. Science, 326, 2009
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3IW5
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![BU of 3iw5 by Molmil](/molmil-images/mine/3iw5) | Human p38 MAP Kinase in Complex with an Indole Derivative | Descriptor: | Mitogen-activated protein kinase 14, N-[2-(3-{[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanyl}-1H-indol-1-yl)ethyl]-3-(trifluoromethyl)benzamide, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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1DVC
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![BU of 1dvc by Molmil](/molmil-images/mine/1dvc) | SOLUTION NMR STRUCTURE OF HUMAN STEFIN A AT PH 5.5 AND 308K, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | STEFIN A | Authors: | Martin, J.R, Craven, C.J, Jerala, R, Kroon-Zitko, L, Zerovnik, E, Turk, V, Waltho, J.P. | Deposit date: | 1996-02-26 | Release date: | 1996-08-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of human stefin A. J.Mol.Biol., 246, 1995
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3IYI
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![BU of 3iyi by Molmil](/molmil-images/mine/3iyi) | P22 expanded head coat protein structures reveal a novel mechanism for capsid maturation: Stability without auxiliary proteins or chemical cross-links | Descriptor: | P22 coat protein in procapsid shells | Authors: | Parent, K.N, Khayat, R, Tu, L.H, Suhanovsky, M.M, Cortines, J.R, Teschke, C.M, Johnson, J.E, Baker, T.S. | Deposit date: | 2009-12-14 | Release date: | 2010-03-31 | Last modified: | 2024-02-21 | Method: | ELECTRON MICROSCOPY (9.1 Å) | Cite: | P22 coat protein structures reveal a novel mechanism for capsid maturation: stability without auxiliary proteins or chemical crosslinks Structure, 18, 2010
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3IHP
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![BU of 3ihp by Molmil](/molmil-images/mine/3ihp) | Covalent Ubiquitin-Usp5 Complex | Descriptor: | CHLORIDE ION, ETHANAMINE, Ubiquitin, ... | Authors: | Walker, J.R, Avvakumov, G.V, Xue, S, Butler-Cole, C, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-30 | Release date: | 2009-12-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Covalent Ubiquitin-Usp5 Complex To be Published
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8FS1
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![BU of 8fs1 by Molmil](/molmil-images/mine/8fs1) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11a (YD905) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{2-[N'-(cyclohexylmethyl)carbamimidamido]ethyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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3ICR
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![BU of 3icr by Molmil](/molmil-images/mine/3icr) | Crystal structure of oxidized Bacillus anthracis CoADR-RHD | Descriptor: | COENZYME A, Coenzyme A-Disulfide Reductase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Wallen, J.R, Claiborne, A. | Deposit date: | 2009-07-18 | Release date: | 2009-11-17 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure and catalytic properties of Bacillus anthracis CoADR-RHD: implications for flavin-linked sulfur trafficking. Biochemistry, 48, 2009
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3IW8
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![BU of 3iw8 by Molmil](/molmil-images/mine/3iw8) | Structure of Inactive Human p38 MAP Kinase in Complex with a Thiazole-Urea | Descriptor: | 1-{4-[(1S)-1-amino-2-(benzyloxy)ethyl]-1,3-thiazol-2-yl}-3-(3-chloro-4-fluorophenyl)urea, Mitogen-activated protein kinase 14, octyl beta-D-glucopyranoside | Authors: | Gruetter, C, Simard, J.R, Rauh, D. | Deposit date: | 2009-09-02 | Release date: | 2009-11-17 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-Throughput Screening To Identify Inhibitors Which Stabilize Inactive Kinase Conformations in p38alpha J.Am.Chem.Soc., 131, 2009
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8FTG
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![BU of 8ftg by Molmil](/molmil-images/mine/8ftg) | Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ... | Authors: | Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R. | Deposit date: | 2023-01-12 | Release date: | 2023-06-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Molecular recognition requires dimerization of a VHH antibody. Mabs, 15, 2023
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8FS2
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![BU of 8fs2 by Molmil](/molmil-images/mine/8fs2) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor 11b (YD907) | Descriptor: | 1,2-ETHANEDIOL, 5'-S-{3-[N'-(cyclohexylmethyl)carbamimidamido]propyl}-N-(3-phenylpropyl)-5'-thioadenosine, DNA (5'-D(*TP*TP*CP*AP*AP*AP*AP*AP*GP*TP*CP*CP*CP*A)-3'), ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2023-01-09 | Release date: | 2023-05-10 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Comparative Study of Adenosine Analogs as Inhibitors of Protein Arginine Methyltransferases and a Clostridioides difficile- Specific DNA Adenine Methyltransferase. Acs Chem.Biol., 18, 2023
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3ICU
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![BU of 3icu by Molmil](/molmil-images/mine/3icu) | Protease-associated domain of the E3 ligase grail | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, E3 ubiquitin-protein ligase RNF128 | Authors: | Walker, J.R, Yermekbayeva, L, Seitova, A, Weigelt, J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2009-07-18 | Release date: | 2009-09-29 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | PA Domain of the E3 Ligase Grail To be Published
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3IBD
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![BU of 3ibd by Molmil](/molmil-images/mine/3ibd) | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole | Descriptor: | 4-(4-CHLOROPHENYL)IMIDAZOLE, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B6, ... | Authors: | Gay, S.C, Sun, L, Talakad, J.C, Shah, M.B, Stout, D.C, Halpert, J.R. | Deposit date: | 2009-07-15 | Release date: | 2010-01-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution. Mol.Pharmacol., 77, 2010
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3ICV
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![BU of 3icv by Molmil](/molmil-images/mine/3icv) | Structural Consequences of a Circular Permutation on Lipase B from Candida Antartica | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Lipase B | Authors: | Horton, J.R, Qian, Z, Jia, D, Lutz, S, Cheng, X. | Deposit date: | 2009-07-18 | Release date: | 2009-10-06 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structural redesign of lipase B from Candida antarctica by circular permutation and incremental truncation. J.Mol.Biol., 393, 2009
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1DVD
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![BU of 1dvd by Molmil](/molmil-images/mine/1dvd) | SOLUTION NMR STRUCTURE OF HUMAN STEFIN A AT PH 5.5 AND 308K, NMR, 17 STRUCTURES | Descriptor: | STEFIN A | Authors: | Martin, J.R, Craven, C.J, Jerala, R, Kroon-Zitko, L, Zerovnik, E, Turk, V, Waltho, J.P. | Deposit date: | 1996-02-26 | Release date: | 1996-08-01 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | The three-dimensional solution structure of human stefin A. J.Mol.Biol., 246, 1995
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2JAD
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![BU of 2jad by Molmil](/molmil-images/mine/2jad) | |