4AOJ
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![BU of 4aoj by Molmil](/molmil-images/mine/4aoj) | Human TrkA in complex with the inhibitor AZ-23 | Descriptor: | 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION | Authors: | Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H. | Deposit date: | 2012-03-28 | Release date: | 2012-08-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors Acs Med.Chem.Lett., 3, 2012
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6WAM
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![BU of 6wam by Molmil](/molmil-images/mine/6wam) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor | Descriptor: | SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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6G7G
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![BU of 6g7g by Molmil](/molmil-images/mine/6g7g) | Structure of SPH (Self-Incompatibility Protein Homologue) proteins, a widespread family of small, highly stable, secreted proteins from plants | Descriptor: | S-protein homolog 15 | Authors: | Rajasekar, K.V, Coulthard, R.J, Ride, J.P, Ji, S, Winn, P.J, Wheeler, M.P, Hyde, E.I, Smith, L.J. | Deposit date: | 2018-04-06 | Release date: | 2019-03-06 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Structure of SPH (self-incompatibility protein homologue) proteins: a widespread family of small, highly stable, secreted proteins. Biochem.J., 476, 2019
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3DZW
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![BU of 3dzw by Molmil](/molmil-images/mine/3dzw) | |
3C0C
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![BU of 3c0c by Molmil](/molmil-images/mine/3c0c) | |
2WH0
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![BU of 2wh0 by Molmil](/molmil-images/mine/2wh0) | Recognition of an intrachain tandem 14-3-3 binding site within protein kinase C epsilon | Descriptor: | 14-3-3 PROTEIN ZETA/DELTA, CALCIUM ION, PROTEIN KINASE C EPSILON TYPE, ... | Authors: | Kostelecky, B, Saurin, A.T, Purkiss, A, Parker, P.J, McDonald, N.Q. | Deposit date: | 2009-04-28 | Release date: | 2009-08-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Recognition of an Intra-Chain Tandem 14-3-3 Binding Site within Pkc Epsilon. Embo Rep., 10, 2009
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2WKO
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![BU of 2wko by Molmil](/molmil-images/mine/2wko) | Structure of metal loaded Pathogenic SOD1 Mutant G93A. | Descriptor: | COPPER (II) ION, IODIDE ION, SUPEROXIDE DISMUTASE [CU-ZN], ... | Authors: | Antonyuk, S.V, Galaleldeen, A, Strange, R, Whitson, L, Narayana, N, Taylor, A, Schuermann, J.P, Holloway, S.P, Hasnain, S.S, Hart, P.J. | Deposit date: | 2009-06-16 | Release date: | 2009-11-24 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | Structural and Biophysical Properties of Metal-Free Pathogenic Sod1 Mutants A4V and G93A. Arch.Biochem.Biophys., 492, 2009
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6VU7
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![BU of 6vu7 by Molmil](/molmil-images/mine/6vu7) | Crystal structure of YbjN, a putative transcription regulator from E. coli | Descriptor: | CHLORIDE ION, YbjN protein | Authors: | Stogios, P.J, Evdokimova, E, Di Leo, R, Savchenko, A, Joachimiak, A, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2020-02-14 | Release date: | 2020-03-11 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Crystal structure of YbjN, a putative transcription regulator from E. coli To Be Published
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6WAN
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![BU of 6wan by Molmil](/molmil-images/mine/6wan) | Structure of Acinetobacter baumannii Cap4 SAVED/CARF-domain containing receptor with the cyclic trinucleotide 3'3'3'-cAAA | Descriptor: | Cyclic RNA (R(P*AP*AP*A), SAVED domain-containing protein, SULFATE ION | Authors: | Lowey, B, Whiteley, A.T, Keszei, A.F.A, Morehouse, B.R, Antine, S.P, Cabrera, V, Schwede, F, Mekalanos, J.J, Shao, S, Lee, A.S.Y, Kranzusch, P.J. | Deposit date: | 2020-03-25 | Release date: | 2020-06-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | CBASS Immunity Uses CARF-Related Effectors to Sense 3'-5'- and 2'-5'-Linked Cyclic Oligonucleotide Signals and Protect Bacteria from Phage Infection. Cell, 182, 2020
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2WUV
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![BU of 2wuv by Molmil](/molmil-images/mine/2wuv) | Crystallographic analysis of counter-ion effects on subtilisin enzymatic action in acetonitrile | Descriptor: | ACETONITRILE, CALCIUM ION, CESIUM ION, ... | Authors: | Cianci, M, Tomaszewki, B, Helliwell, J.R, Halling, P.J. | Deposit date: | 2009-10-09 | Release date: | 2010-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile. J.Am.Chem.Soc., 132, 2010
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3BPR
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![BU of 3bpr by Molmil](/molmil-images/mine/3bpr) | Crystal structure of catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor C52 | Descriptor: | 2-(2-HYDROXYETHYLAMINO)-6-(3-CHLOROANILINO)-9-ISOPROPYLPURINE, CHLORIDE ION, Proto-oncogene tyrosine-protein kinase MER, ... | Authors: | Walker, J.R, Huang, X, Finerty Jr, P.J, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2007-12-19 | Release date: | 2008-01-29 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural insights into the inhibited states of the Mer receptor tyrosine kinase. J.Struct.Biol., 165, 2009
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2WRG
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![BU of 2wrg by Molmil](/molmil-images/mine/2wrg) | structure of H1 1918 hemagglutinin with human receptor | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HEMAGGLUTININ HA1 CHAIN, HEMAGGLUTININ HA2 CHAIN, ... | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-09-01 | Release date: | 2009-09-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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7NRK
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![BU of 7nrk by Molmil](/molmil-images/mine/7nrk) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1002F1 | Descriptor: | 14-3-3 protein sigma, 4-(4-methylimidazol-1-yl)benzaldehyde, CALCIUM ION, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NRL
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![BU of 7nrl by Molmil](/molmil-images/mine/7nrl) | 14-3-3 sigma with Pin1 binding site pS72 and covalently bound LvD1032 | Descriptor: | 14-3-3 protein sigma, 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol, DI(HYDROXYETHYL)ETHER, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-04 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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7NSV
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![BU of 7nsv by Molmil](/molmil-images/mine/7nsv) | 14-3-3 sigma with p65 (RelA) binding site pS45 and covalently bound PC2046 | Descriptor: | 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole, 14-3-3 protein sigma, GLYCEROL, ... | Authors: | Wolter, M, Dijck, L.v, Cossar, P.J, Ottmann, C. | Deposit date: | 2021-03-08 | Release date: | 2021-06-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | Reversible Covalent Imine-Tethering for Selective Stabilization of 14-3-3 Hub Protein Interactions. J.Am.Chem.Soc., 143, 2021
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6VL3
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![BU of 6vl3 by Molmil](/molmil-images/mine/6vl3) | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986436 | Descriptor: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Jayaraman, S, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-22 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.68 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VJH
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![BU of 6vjh by Molmil](/molmil-images/mine/6vjh) | The crystal structure of the 2009 H1N1/California PA endonuclease wild type in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-16 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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6VIV
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![BU of 6viv by Molmil](/molmil-images/mine/6viv) | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986192 | Descriptor: | 2-[2-[(cyclohexylmethyl-$l^{3}-oxidanyl)carbonylamino]propan-2-yl]-~{N}-[2-(5-methoxy-4-oxidanyl-cyclohexa-1,3,5-trien-1-yl)ethyl]-5-oxidanyl-6-oxidanylidene-pyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-14 | Release date: | 2021-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Chemical scaffold recycling: Structure-guided conversion of an HIV integrase inhibitor into a potent influenza virus RNA-dependent RNA polymerase inhibitor designed to minimize resistance potential. Eur.J.Med.Chem., 247, 2023
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2WR5
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![BU of 2wr5 by Molmil](/molmil-images/mine/2wr5) | structure of influenza H2 duck Ontario hemagglutinin | Descriptor: | HEMAGGLUTININ | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-08-29 | Release date: | 2009-09-29 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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6W10
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2WRF
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![BU of 2wrf by Molmil](/molmil-images/mine/2wrf) | structure of H2 avian jena hemagglutinin with human receptor | Descriptor: | HEMAGGLUTININ, N-acetyl-alpha-neuraminic acid, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose | Authors: | Liu, J, Stevens, D.J, Haire, L.F, Walker, P.A, Coombs, P.J, Russell, R.J, Gamblin, S.J, Skehel, J.J. | Deposit date: | 2009-09-01 | Release date: | 2009-09-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | From the Cover: Structures of Receptor Complexes Formed by Hemagglutinins from the Asian Influenza Pandemic of 1957. Proc.Natl.Acad.Sci.USA, 106, 2009
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6FWN
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![BU of 6fwn by Molmil](/molmil-images/mine/6fwn) | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | Descriptor: | von Willebrand factor | Authors: | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | Deposit date: | 2018-03-06 | Release date: | 2018-10-24 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor. Blood, 133, 2019
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6YUR
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![BU of 6yur by Molmil](/molmil-images/mine/6yur) | Crystal structure of S. aureus FabI inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, Enoyl-[acyl-carrier-protein] reductase [NADPH], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Weinrich, J.D, Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
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6YUU
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![BU of 6yuu by Molmil](/molmil-images/mine/6yuu) | Crystal structure of M. tuberculosis InhA inhibited by SKTS1 | Descriptor: | 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol, CHLORIDE ION, Enoyl-[acyl-carrier-protein] reductase [NADH], ... | Authors: | Eltschkner, S, Schiebel, J, Kehrein, J, Le, T.A, Davoodi, S, Merget, B, Weinrich, J.D, Tonge, P.J, Engels, B, Sotriffer, C.A, Kisker, C. | Deposit date: | 2020-04-27 | Release date: | 2021-03-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A Long Residence Time Enoyl-Reductase Inhibitor Explores an Extended Binding Region with Isoenzyme-Dependent Tautomer Adaptation and Differential Substrate-Binding Loop Closure. Acs Infect Dis., 7, 2021
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7PBE
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![BU of 7pbe by Molmil](/molmil-images/mine/7pbe) | Emergence of immune escape at dominant SARS-CoV-2 killer T-cell epitope | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, Human T-cell Receptor YLQ36, ... | Authors: | Rizkallah, P.J, Sewell, A.K, Wall, A, Fuller, A. | Deposit date: | 2021-08-02 | Release date: | 2022-04-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Emergence of immune escape at dominant SARS-CoV-2 killer T cell epitope. Cell, 185, 2022
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