8TBM
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![BU of 8tbm by Molmil](/molmil-images/mine/8tbm) | Tricomplex of RMC-7977, KRAS G12V, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GLYCEROL, GTPase KRas, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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8TBN
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![BU of 8tbn by Molmil](/molmil-images/mine/8tbn) | Tricomplex of RMC-7977, KRAS G12S, and CypA | Descriptor: | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide, GTPase KRas, MAGNESIUM ION, ... | Authors: | Tomlinson, A.C.A, Chen, A, Knox, J.E, Yano, J.K. | Deposit date: | 2023-06-28 | Release date: | 2024-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | Concurrent inhibition of oncogenic and wild-type RAS-GTP for cancer therapy. Nature, 629, 2024
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6EP0
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![BU of 6ep0 by Molmil](/molmil-images/mine/6ep0) | |
6ERB
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![BU of 6erb by Molmil](/molmil-images/mine/6erb) | |
6EP5
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![BU of 6ep5 by Molmil](/molmil-images/mine/6ep5) | |
6EP2
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6ER8
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![BU of 6er8 by Molmil](/molmil-images/mine/6er8) | |
5BKA
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4Z07
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![BU of 4z07 by Molmil](/molmil-images/mine/4z07) | Co-crystal structure of the tandem CNB (CNB-A/B) domains of human PKG I beta with cGMP | Descriptor: | CYCLIC GUANOSINE MONOPHOSPHATE, ISOPROPYL ALCOHOL, SULFATE ION, ... | Authors: | Kim, J.J, Reger, A.S, Arold, S.T, Kim, C. | Deposit date: | 2015-03-25 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of PKG I:cGMP Complex Reveals a cGMP-Mediated Dimeric Interface that Facilitates cGMP-Induced Activation. Structure, 24, 2016
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6FAE
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![BU of 6fae by Molmil](/molmil-images/mine/6fae) | The Sec7 domain of IQSEC2 (Brag1) in complex with the small GTPase Arf1 | Descriptor: | 1,2-ETHANEDIOL, ADP-ribosylation factor 1, IQ motif and SEC7 domain-containing protein 2 | Authors: | Gray, J, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P, von Delft, F. | Deposit date: | 2017-12-15 | Release date: | 2018-01-17 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Targeting the Small GTPase Superfamily through their Regulatory Proteins. Angew.Chem.Int.Ed.Engl., 2019
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6F3K
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![BU of 6f3k by Molmil](/molmil-images/mine/6f3k) | Combined solid-state NMR, solution-state NMR and EM data for structure determination of the tetrahedral aminopeptidase TET2 from P. horikoshii | Descriptor: | Tetrahedral aminopeptidase, ZINC ION | Authors: | Gauto, D.F, Estrozi, L.F, Schwieters, C.D, Effantin, G, Macek, P, Sounier, R, Kerfah, R, Sivertsen, A.C, Colletier, J.P, Boisbouvier, J, Schoehn, G, Favier, A, Schanda, P. | Deposit date: | 2017-11-28 | Release date: | 2018-03-14 | Last modified: | 2023-09-13 | Method: | ELECTRON MICROSCOPY (4.1 Å), SOLID-STATE NMR, SOLUTION NMR | Cite: | Integrated NMR and cryo-EM atomic-resolution structure determination of a half-megadalton enzyme complex. Nat Commun, 10, 2019
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6G88
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![BU of 6g88 by Molmil](/molmil-images/mine/6g88) | Crystal structure of Enterococcus Faecium D63r Penicillin-Binding protein 5 (PBP5fm) | Descriptor: | (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyrrolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid, Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION | Authors: | Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. | Deposit date: | 2018-04-08 | Release date: | 2019-04-24 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole. To Be Published
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6G0K
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![BU of 6g0k by Molmil](/molmil-images/mine/6g0k) | Crystal structure of Enterococcus faecium D63r Penicillin-Binding protein 5 (PBP5fm) | Descriptor: | Low affinity penicillin-binding protein 5 (PBP5), SULFATE ION | Authors: | Sauvage, E, El Gachi, M, Herman, R, Kerff, F, Charlier, P. | Deposit date: | 2018-03-19 | Release date: | 2019-04-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural basis of inactivation of Enterococcus faecium penicillin binding protein 5 by ceftobiprole. To Be Published
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4O8S
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1A7C
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![BU of 1a7c by Molmil](/molmil-images/mine/1a7c) | HUMAN PLASMINOGEN ACTIVATOR INHIBITOR TYPE-1 IN COMPLEX WITH A PENTAPEPTIDE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-D-ribopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, PENTAPEPTIDE, ... | Authors: | Xue, Y, Inghardt, T, Sjolin, L, Deinum, J. | Deposit date: | 1998-03-12 | Release date: | 1999-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Interfering with the inhibitory mechanism of serpins: crystal structure of a complex formed between cleaved plasminogen activator inhibitor type 1 and a reactive-centre loop peptide Structure, 6, 1998
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6H35
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![BU of 6h35 by Molmil](/molmil-images/mine/6h35) | Myxococcus xanthus MglA bound to GDP and Pi with mixed inactive and active switch region conformations | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Mutual gliding-motility protein MglA, ... | Authors: | Varela, P.F, Galicia, C, Cherfils, J. | Deposit date: | 2018-07-17 | Release date: | 2019-12-04 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | MglA functions as a three-state GTPase to control movement reversals of Myxococcus xanthus. Nat Commun, 10, 2019
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5BNC
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![BU of 5bnc by Molmil](/molmil-images/mine/5bnc) | Structure of heme binding protein MSMEG_6519 from Mycobacterium smegmatis | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, MAGNESIUM ION, NICKEL (II) ION, ... | Authors: | Ahmed, F.H, Carr, P.D, Jackson, C.J. | Deposit date: | 2015-05-26 | Release date: | 2015-10-21 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sequence-Structure-Function Classification of a Catalytically Diverse Oxidoreductase Superfamily in Mycobacteria. J.Mol.Biol., 427, 2015
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4MX3
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![BU of 4mx3 by Molmil](/molmil-images/mine/4mx3) | Crystal Structure of PKA RIalpha Homodimer | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, cAMP-dependent protein kinase type I-alpha regulatory subunit | Authors: | Bruystens, J.G.H, Wu, J, Fortezzo, A, Kornev, A.P, Blumenthal, D.A, Taylor, S.S. | Deposit date: | 2013-09-25 | Release date: | 2014-01-15 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.88 Å) | Cite: | PKA RI alpha Homodimer Structure Reveals an Intermolecular Interface with Implications for Cooperative cAMP Binding and Carney Complex Disease. Structure, 22, 2014
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3T04
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![BU of 3t04 by Molmil](/molmil-images/mine/3t04) | Crystal structure of monobody 7c12/abl1 sh2 domain complex | Descriptor: | GLYCEROL, MONOBODY 7C12, SULFATE ION, ... | Authors: | Wojcik, J.B, Wyrzucki, A.M, Koide, S. | Deposit date: | 2011-07-19 | Release date: | 2011-11-23 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Targeting the SH2-Kinase Interface in Bcr-Abl Inhibits Leukemogenesis. Cell(Cambridge,Mass.), 147, 2011
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4TKO
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![BU of 4tko by Molmil](/molmil-images/mine/4tko) | Structure of the periplasmic adaptor protein EmrA | Descriptor: | EmrA, ISOPROPYL ALCOHOL, MAGNESIUM ION | Authors: | Hinchliffe, P, Greene, N.P, Paterson, N.G, Crow, A, Hughes, C, Koronakis, V. | Deposit date: | 2014-05-27 | Release date: | 2014-07-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Structure of the periplasmic adaptor protein from a major facilitator superfamily (MFS) multidrug efflux pump. Febs Lett., 588, 2014
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5XLW
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![BU of 5xlw by Molmil](/molmil-images/mine/5xlw) | Mycobacterium tuberculosis Pantothenate kinase mutant F247A/F254A | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ... | Authors: | Paul, A, Kumar, P, Surolia, A, Vijayan, M. | Deposit date: | 2017-05-11 | Release date: | 2018-05-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Biochemical and structural studies of mutants indicate concerted movement of the dimer interface and ligand-binding region of Mycobacterium tuberculosis pantothenate kinase Acta Crystallogr F Struct Biol Commun, 73, 2017
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2CWZ
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![BU of 2cwz by Molmil](/molmil-images/mine/2cwz) | Crystal structure of the Thermus thermophilus hypothetical protein TTHA0967, a thioesterase superfamily member | Descriptor: | 1,2-ETHANEDIOL, thioesterase family protein | Authors: | Pioszak, A.A, Murayama, K, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2005-06-27 | Release date: | 2005-12-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the Thermus thermophilus hypothetical protein TTHA0967, a thioesterase superfamily member To be Published
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6TVB
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![BU of 6tvb by Molmil](/molmil-images/mine/6tvb) | Crystal structure of the haemagglutinin from a transmissible H10N7 seal influenza virus isolated in Netherland in complex with human receptor analogue 6'-SLN | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-09 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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6TY1
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![BU of 6ty1 by Molmil](/molmil-images/mine/6ty1) | Crystal structure of the haemagglutinin mutant (Gln226Leu, Gly228Ser) from an H10N7 seal influenza virus isolated in Germany in complex with human receptor analogue 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, Hemagglutinin HA2, ... | Authors: | Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J. | Deposit date: | 2020-01-15 | Release date: | 2020-10-21 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals. Cell Host Microbe, 28, 2020
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7U8W
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![BU of 7u8w by Molmil](/molmil-images/mine/7u8w) | hTRAP1 with inhibitors | Descriptor: | Heat shock protein 75 kDa, mitochondrial, [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone | Authors: | Deng, J, Matts, R, Peng, S. | Deposit date: | 2022-03-09 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.706 Å) | Cite: | Elucidation of novel TRAP1-Selective inhibitors that regulate mitochondrial processes. Eur.J.Med.Chem., 258, 2023
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