4CDD
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![BU of 4cdd by Molmil](/molmil-images/mine/4cdd) | Human DPP1 in complex with (2S)-N-((1S)-1-cyano-2-(4-(4-cyanophenyl) phenyl)ethyl)piperidine-2-carboxamide | Descriptor: | (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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6THU
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4UYA
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![BU of 4uya by Molmil](/molmil-images/mine/4uya) | Structure of MLK4 kinase domain with ATPgammaS | Descriptor: | MAGNESIUM ION, MITOGEN-ACTIVATED PROTEIN KINASE KINASE KINASE MLK4, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER | Authors: | Read, J.A, Brassington, C, Pollard, H.K, Phillips, C, Green, I, Overmann, R, Collier, M. | Deposit date: | 2014-08-29 | Release date: | 2015-09-30 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Recurrent Mlk4 Loss-of-Function Mutations Suppress Jnk Signaling to Promote Colon Tumorigenesis. Cancer Res., 76, 2016
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4CDE
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![BU of 4cde by Molmil](/molmil-images/mine/4cde) | Human DPP1 in complex with 4-amino-N-((1S)-1-cyano-2-(4-(4- cyanophenyl)phenyl)ethyl)tetrahydropyran-4-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AZANYL-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]OXANE-4-CARBOXAMIDE, CHLORIDE ION, ... | Authors: | Debreczeni, J, Edman, K, Furber, M, Tiden, A, Gardiner, P, Mete, T, Ford, R, Millichip, I, Stein, L, Mather, A, Kinchin, E, Luckhurst, C, Cage, P, Sanghanee, H, Breed, J, Wissler, L. | Deposit date: | 2013-10-31 | Release date: | 2014-03-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Cathepsin C Inhibitors: Property Optimization and Identification of a Clinical Candidate. J.Med.Chem., 57, 2014
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7LON
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![BU of 7lon by Molmil](/molmil-images/mine/7lon) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (1R,3S,4R)-3-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-4-methylcyclohexane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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7LNM
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![BU of 7lnm by Molmil](/molmil-images/mine/7lnm) | Ornithine Aminotransferase (OAT) cocrystallized with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclopentene-1-carboxylic acid | Descriptor: | (1~{R},3~{S},4~{R})-3-methyl-4-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclopentane-1-carboxylic acid, Ornithine aminotransferase, mitochondrial | Authors: | Butrin, A, Catlin, D, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-07 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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7LOM
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![BU of 7lom by Molmil](/molmil-images/mine/7lom) | Ornithine Aminotransferase (OAT) soaked with its inactivator - (1S,3S)-3-amino-4-(difluoromethylene)cyclohexene-1-carboxylic acid | Descriptor: | (3~{S},4~{S})-4-methyl-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, (4~{R})-4-(fluoranylmethyl)-3-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]cyclohexene-1-carboxylic acid, Ornithine aminotransferase, ... | Authors: | Butrin, A, Zhu, W, Liu, D, Silverman, R. | Deposit date: | 2021-02-10 | Release date: | 2021-08-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Remarkable and Unexpected Mechanism for ( S )-3-Amino-4-(difluoromethylenyl)cyclohex-1-ene-1-carboxylic Acid as a Selective Inactivator of Human Ornithine Aminotransferase. J.Am.Chem.Soc., 143, 2021
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6X1W
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![BU of 6x1w by Molmil](/molmil-images/mine/6x1w) | Structure of pHis Fab (SC56-2) in complex with pHis mimetic peptide | Descriptor: | ACLYana-3-pTza peptide, SC56-2 Heavy chain, SC56-2 Light chain | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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7OQB
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![BU of 7oqb by Molmil](/molmil-images/mine/7oqb) | The U2 part of Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | ACT1 pre-mRNA (delta-BS-A), Cold sensitive U2 snRNA suppressor 1, Pre-mRNA-processing ATP-dependent RNA helicase PRP5, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2021-09-22 | Method: | ELECTRON MICROSCOPY (9 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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7OQE
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![BU of 7oqe by Molmil](/molmil-images/mine/7oqe) | Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA (delta BS-A), Cold sensitive U2 snRNA suppressor 1, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (5.9 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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7LCG
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![BU of 7lcg by Molmil](/molmil-images/mine/7lcg) | The mature Usutu SAAR-1776, Model A | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | Deposit date: | 2021-01-11 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.42 Å) | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry. Proc.Natl.Acad.Sci.USA, 118, 2021
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7OVR
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![BU of 7ovr by Molmil](/molmil-images/mine/7ovr) | Mature HIV-1 matrix structure | Descriptor: | HIV-1 matrix, MYRISTIC ACID, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate | Authors: | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | Deposit date: | 2021-06-15 | Release date: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Maturation of the matrix and viral membrane of HIV-1. Science, 373, 2021
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7OVQ
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![BU of 7ovq by Molmil](/molmil-images/mine/7ovq) | Immature HIV-1 matrix structure | Descriptor: | Gag polyprotein, MYRISTIC ACID | Authors: | Qu, K, Ke, Z.L, Zila, V, Anders-Oesswein, M, Glass, B, Muecksch, F, Mueller, R, Schultz, C, Mueller, B, Kraeusslich, H.G, Briggs, J.A.G. | Deposit date: | 2021-06-15 | Release date: | 2021-08-18 | Method: | ELECTRON MICROSCOPY (7.2 Å) | Cite: | Maturation of the matrix and viral membrane of HIV-1. Science, 373, 2021
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7OQC
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![BU of 7oqc by Molmil](/molmil-images/mine/7oqc) | The U1 part of Saccharomyces cerevisiae spliceosomal pre-A complex (delta BS-A ACT1) | Descriptor: | 56 kDa U1 small nuclear ribonucleoprotein component, ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A),ACT1 pre-mRNA (delta BS-A), Pre-mRNA-processing factor 39, ... | Authors: | Zhang, Z, Rigo, N, Dybkov, O, Fourmann, J, Will, C.L, Kumar, V, Urlaub, H, Stark, H, Luehrmann, R. | Deposit date: | 2021-06-03 | Release date: | 2021-08-11 | Last modified: | 2021-09-29 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Structural insights into how Prp5 proofreads the pre-mRNA branch site. Nature, 596, 2021
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7LCH
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![BU of 7lch by Molmil](/molmil-images/mine/7lch) | The mature Usutu SAAR-1776, Model B | Descriptor: | (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope protein E, ... | Authors: | Khare, B, Klose, T, Fang, Q, Kuhn, R. | Deposit date: | 2021-01-11 | Release date: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.35 Å) | Cite: | Structure of Usutu virus SAAR-1776 displays fusion loop asymmetry. Proc.Natl.Acad.Sci.USA, 118, 2021
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7XT0
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![BU of 7xt0 by Molmil](/molmil-images/mine/7xt0) | Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors | Descriptor: | 1,2-ETHANEDIOL, RNA helicase | Authors: | Wang, D.P, Jiang, F.Y, Zeng, X.Y, Zhao, R, Chen, C, Zhu, Y, Cao, J.M. | Deposit date: | 2022-05-15 | Release date: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Crystal structure of RNA helicase from Saint Louis encephalitis virus and discovery of its inhibitors To Be Published
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7R7Z
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![BU of 7r7z by Molmil](/molmil-images/mine/7r7z) | Crystal structure of QW9-HLA-B*5301 specific T Cell Receptor, C3 | Descriptor: | Alpha chain of C3 TCR, Beta chain of C3 TCR, HEXAETHYLENE GLYCOL, ... | Authors: | Li, X.L, Tan, K.M, Xu, S.T, Ng, R, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.286 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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7R7Y
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![BU of 7r7y by Molmil](/molmil-images/mine/7r7y) | Crystal structure of HLA-B*5701 complex with an HIV-1 Gag-derived epitope QW9 S3T variant | Descriptor: | Beta-2-microglobulin, GLN-ALA-THR-GLN-GLU-VAL-LYS-ASN-TRP, GLYCEROL, ... | Authors: | Li, X.L, Ng, R, Tan, K.M, Walker, B.D, Wang, J.H. | Deposit date: | 2021-06-25 | Release date: | 2022-06-29 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.601 Å) | Cite: | Molecular basis of differential HLA class I-restricted T cell recognition of a highly networked HIV peptide. Nat Commun, 14, 2023
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6DGU
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![BU of 6dgu by Molmil](/molmil-images/mine/6dgu) | PER-2 class A extended-spectrum beta-lactamase crystal structure at 2.69 Angstrom resolution | Descriptor: | Beta-lactamase | Authors: | Power, P, Ruggiero, M, Gutkind, G, Bonomo, R, Klinke, S. | Deposit date: | 2018-05-18 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.691 Å) | Cite: | Structural Insights into the Inhibition of the Extended-Spectrum beta-Lactamase PER-2 by Avibactam. Antimicrob.Agents Chemother., 63, 2019
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6X1U
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![BU of 6x1u by Molmil](/molmil-images/mine/6x1u) | Structure of pHis Fab (SC39-4) in complex with pHis mimetic peptide | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ACLYana-3-pTza peptide, ... | Authors: | Kalagiri, R, Stanfield, R, Wilson, I.A, Hunter, T. | Deposit date: | 2020-05-19 | Release date: | 2021-02-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Structural basis for differential recognition of phosphohistidine-containing peptides by 1-pHis and 3-pHis monoclonal antibodies. Proc.Natl.Acad.Sci.USA, 118, 2021
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7LCU
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![BU of 7lcu by Molmil](/molmil-images/mine/7lcu) | X-ray structure of Furin bound to BOS-318, a small molecule inhibitor | Descriptor: | (1-{[2-(3,5-dichlorophenyl)-6-{[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]oxy}pyridin-4-yl]methyl}piperidin-4-yl)acetic acid, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Campobasso, N, Reid, R. | Deposit date: | 2021-01-11 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.24 Å) | Cite: | A highly selective, cell-permeable furin inhibitor BOS-318 rescues key features of cystic fibrosis airway disease. Cell Chem Biol, 29, 2022
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5D9P
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![BU of 5d9p by Molmil](/molmil-images/mine/5d9p) | Crystal structure of PbGH5A, a glycoside hydrolase family 5 enzyme from Prevotella bryantii B14, in complex with an inhibitory N-bromoacetylglycosylamine derivative of XXXG | Descriptor: | B-1,4-endoglucanase, CALCIUM ION, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-N-acetyl-beta-D-glucopyranosylamine | Authors: | Morar, M, Stogios, P.J, Xu, X, Cui, H, Di Leo, R, Yim, V, Savchenko, A. | Deposit date: | 2015-08-18 | Release date: | 2015-11-04 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure-Function Analysis of a Mixed-linkage beta-Glucanase/Xyloglucanase from the Key Ruminal Bacteroidetes Prevotella bryantii B14. J.Biol.Chem., 291, 2016
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7L91
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![BU of 7l91 by Molmil](/molmil-images/mine/7l91) | Structure of Metallo Beta-Lactamase L1 in a Complex with Hydrolyzed Moxalactam Determined by Pink-Beam Serial Crystallography | Descriptor: | (2R)-2-[(R)-carboxy{[(2R)-2-carboxy-2-(4-hydroxyphenyl)acetyl]amino}methoxymethyl]-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-3,6-dihydro-2H-1,3-oxazine-4-carboxylic acid, Putative metallo-beta-lactamase l1 (Beta-lactamase type ii) (Ec 3.5.2.6) (Penicillinase), ZINC ION | Authors: | Wilamowski, M, Kim, Y, Sherrell, D.A, Lavens, A, Henning, R, Maltseva, N, Endres, M, Babnigg, G, Vukica, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2021-01-01 | Release date: | 2022-02-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved beta-lactam cleavage by L1 metallo-beta-lactamase. Nat Commun, 13, 2022
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6DM4
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![BU of 6dm4 by Molmil](/molmil-images/mine/6dm4) | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila in complex with Homo sapiens Shc1 phospho-Tyr317 peptide | Descriptor: | RavO, SULFATE ION, Shc1 phospho-Tyr317 peptide | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Kaneko, T, Li, S, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2018-06-04 | Release date: | 2018-06-27 | Last modified: | 2020-01-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of the SH2 domain from RavO (Lpg1129) from Legionella pneumophila in complex with Homo sapiens Shc1 phospho-Tyr317 peptide To Be Published
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6DN2
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![BU of 6dn2 by Molmil](/molmil-images/mine/6dn2) | CRYSTAL STRUCTURE OF THE FMN RIBOSWITCH BOUND TO BRX1354 SPLIT RNA | Descriptor: | 4-{benzyl[2-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)ethyl]amino}butanoic acid, MAGNESIUM ION, POTASSIUM ION, ... | Authors: | Vicens, Q, Mondragon, E, Reyes, F.E, Berman, J, Kaur, H, Kells, K, Wickens, P, Wilson, J, Gadwood, R, Schostarez, H, Suto, R.K, Coish, P, Blount, K.F, Batey, R.T. | Deposit date: | 2018-06-05 | Release date: | 2018-09-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.88 Å) | Cite: | Structure-Activity Relationship of Flavin Analogues That Target the Flavin Mononucleotide Riboswitch. ACS Chem. Biol., 13, 2018
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