4XII
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![BU of 4xii by Molmil](/molmil-images/mine/4xii) | X-ray structure of human butyrylcholinesterase in complex with N-((1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl)methyl)-8-hydroxy-N-(2-methoxyethyl)-5-nitroquinoline-7-carboxamide | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Knez, D, Boris, B, Coquelle, N, Sosic, I, Sink, R, Brazzolotto, X, Mravljak, J, Colletier, J.P, Gobec, S. | Deposit date: | 2015-01-07 | Release date: | 2015-07-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-based development of nitroxoline derivatives as potential multifunctional anti-Alzheimer agents. Bioorg.Med.Chem., 23, 2015
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4XAG
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![BU of 4xag by Molmil](/molmil-images/mine/4xag) | Cycles of destabilization and repair underlie the evolution of new enzyme function | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-R6, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-14 | Release date: | 2015-12-16 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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1NLF
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![BU of 1nlf by Molmil](/molmil-images/mine/1nlf) | Crystal Structure of DNA Helicase RepA in complex with sulfate at 1.95 A resolution | Descriptor: | Regulatory protein repA, SULFATE ION | Authors: | Xu, H, Strater, N, Schroeder, W, Bottcher, C, Ludwig, K, Saenger, W. | Deposit date: | 2003-01-07 | Release date: | 2003-04-29 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an "open" form. Acta Crystallogr.,Sect.D, 59, 2003
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6YEL
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![BU of 6yel by Molmil](/molmil-images/mine/6yel) | Stromal interaction molecule 1 coiled-coil 1 fragment | Descriptor: | Stromal interaction molecule 1 | Authors: | Rathner, P, Cerofolini, L, Ravera, E, Bechmann, M, Grabmayr, H, Fahrner, M, Fragai, M, Romanin, C, Luchinat, C, Mueller, N. | Deposit date: | 2020-03-25 | Release date: | 2020-09-02 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Interhelical interactions within the STIM1 CC1 domain modulate CRAC channel activation. Nat.Chem.Biol., 17, 2021
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4XEN
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![BU of 4xen by Molmil](/molmil-images/mine/4xen) | High pressure protein crystallography of hen egg white lysozyme in complex with Tetra-N-acetylchitotetraose at 920 MPa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Lysozyme C, ... | Authors: | Yamada, H, Watanabe, N, Nagae, T. | Deposit date: | 2014-12-24 | Release date: | 2015-04-08 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | High-pressure protein crystallography of hen egg-white lysozyme Acta Crystallogr.,Sect.D, 71, 2015
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1N9R
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![BU of 1n9r by Molmil](/molmil-images/mine/1n9r) | Crystal structure of a heptameric ring complex of yeast SmF in spacegroup P4122 | Descriptor: | Small nuclear ribonucleoprotein F | Authors: | Collins, B.M, Cubeddu, L, Naidoo, N, Harrop, S.J, Kornfeld, G.D, Dawes, I.W, Curmi, P.M.G, Mabbutt, B.C. | Deposit date: | 2002-11-26 | Release date: | 2002-12-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Homomeric ring assemblies of eukaryotic Sm proteins have affinity for
both RNA and DNA: Crystal structure of an oligomeric complex of yeast
SmF J.Biol.Chem., 278, 2003
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1N81
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4XKG
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![BU of 4xkg by Molmil](/molmil-images/mine/4xkg) | Crystal structure of hemagglutinin from Taiwan (2013) H6N1 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | Authors: | Tzarum, N, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-11 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure and Receptor Binding of the Hemagglutinin from a Human H6N1 Influenza Virus. Cell Host Microbe, 17, 2015
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1NAJ
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![BU of 1naj by Molmil](/molmil-images/mine/1naj) | High resolution NMR Structure Of DNA Dodecamer Determined In Aqueous Dilute Liquid Crystalline Phase | Descriptor: | 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3' | Authors: | Wu, Z, Delaglio, F, Tjandra, N, Zhurkin, V, Bax, A. | Deposit date: | 2002-11-27 | Release date: | 2003-07-08 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Overall structure and sugar dynamics of a DNA dodecamer from homo- and heteronuclear dipolar couplings and (31)P chemical shift anisotropy. J.Biomol.Nmr, 26, 2003
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1NAX
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![BU of 1nax by Molmil](/molmil-images/mine/1nax) | Thyroid receptor beta1 in complex with a beta-selective ligand | Descriptor: | Thyroid hormone receptor beta-1, {3,5-DICHLORO-4-[4-HYDROXY-3-(PROPAN-2-YL)PHENOXY]PHENYL}ACETIC ACID | Authors: | Ye, L, Li, Y.L, Mellstrom, K, Mellin, C, Bladh, L.G, Koehler, K, Garg, N, Garcia Collazo, A.M, Litten, C, Husman, B, Persson, K, Ljunggren, J, Grover, G, Sleph, P.G, George, R, Malm, J. | Deposit date: | 2002-11-29 | Release date: | 2003-06-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Thyroid receptor ligands. 1. Agonist ligands selective for the thyroid receptor beta1. J.Med.Chem., 46, 2003
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4XBC
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![BU of 4xbc by Molmil](/molmil-images/mine/4xbc) | 1.60 A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid (Hexagonal Form) | Descriptor: | (1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-LIKE PROTEASE, TETRAETHYLENE GLYCOL | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2014-12-16 | Release date: | 2015-03-25 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
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4XD3
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![BU of 4xd3 by Molmil](/molmil-images/mine/4xd3) | Phosphotriesterase variant E3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E1, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-19 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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8AQ5
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![BU of 8aq5 by Molmil](/molmil-images/mine/8aq5) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 16 | Descriptor: | 1-[6-[4-(5-chloranyl-6-methyl-1~{H}-indazol-4-yl)-5-methyl-3-phenyl-pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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8AQ7
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![BU of 8aq7 by Molmil](/molmil-images/mine/8aq7) | KRAS G12C IN COMPLEX WITH GDP AND COMPOUND 9 | Descriptor: | 1-[6-[3-cyclohexyl-5-methyl-4-(5-methyl-1~{H}-indazol-4-yl)pyrazol-1-yl]-2-azaspiro[3.3]heptan-2-yl]propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ... | Authors: | Ostermann, N. | Deposit date: | 2022-08-11 | Release date: | 2022-12-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | JDQ443, a Structurally Novel, Pyrazole-Based, Covalent Inhibitor of KRAS G12C for the Treatment of Solid Tumors. J.Med.Chem., 65, 2022
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4XD9
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![BU of 4xd9 by Molmil](/molmil-images/mine/4xd9) | Structure of Rpf2-Rrs1 complex involved in ribosome biogenesis | Descriptor: | Ribosome biogenesis protein (Rrs1), putative (AFU_orthologue AFUA_7G04430), Ribosome biogenesis protein, ... | Authors: | Asano, N, Kato, K, Yao, M. | Deposit date: | 2014-12-19 | Release date: | 2015-06-10 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional analysis of the Rpf2-Rrs1 complex in ribosome biogenesis. Nucleic Acids Res., 43, 2015
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4XGY
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![BU of 4xgy by Molmil](/molmil-images/mine/4xgy) | GFP based antibody (fluorobody) | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Green fluorescent protein, mAb LCDR3 | Authors: | Shi, N, Chen, Y.G, Wang, S.H. | Deposit date: | 2015-01-03 | Release date: | 2015-07-01 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.494 Å) | Cite: | The structure of a GFP-based antibody (fluorobody) to TLH, a toxin from Vibrio parahaemolyticus. Acta Crystallogr.,Sect.F, 71, 2015
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4XHV
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![BU of 4xhv by Molmil](/molmil-images/mine/4xhv) | Crystal structure of Drosophila Spinophilin-PDZ and a C-terminal peptide of Neurexin | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, LP20995p, ... | Authors: | Driller, J.H, Muhammad, K.G.H, Reddy, S, Rey, U, Boehme, M.A, Hollmann, C, Ramesh, N, Depner, H, Luetzkendorf, J, Matkovic, T, Bergeron, D, Quentin, C, Schmoranzer, J, Goettfert, F, Holt, M, Wahl, M.C, Hell, S.W, Walter, A, Sigrist, S.J, Loll, B. | Deposit date: | 2015-01-06 | Release date: | 2015-07-01 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | Presynaptic spinophilin tunes neurexin signalling to control active zone architecture and function. Nat Commun, 6, 2015
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1NDE
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![BU of 1nde by Molmil](/molmil-images/mine/1nde) | Estrogen Receptor beta with Selective Triazine Modulator | Descriptor: | 4-(2-{[4-{[3-(4-CHLOROPHENYL)PROPYL]SULFANYL}-6-(1-PIPERAZINYL)-1,3,5-TRIAZIN-2-YL]AMINO}ETHYL)PHENOL, Estrogen receptor beta | Authors: | Henke, B.R, Consler, T.G, Go, N, Hale, R.L, Hohman, D.R, Jones, S.A, Lu, A.T, Moore, L.B, Moore, J.T, Orband-Miller, L.A, Robinett, R.G, Shearin, J, Spearing, P.K, Stewart, E.L, Turnbull, P.S, Weaver, S.L, Williams, S.P, Wisely, G.B, Lambert, M.H. | Deposit date: | 2002-12-09 | Release date: | 2002-12-18 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | A New Series of Estrogen Receptor Modulators That Display Selectivity for Estrogen Receptor beta J.Med.Chem., 45, 2002
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4XQO
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![BU of 4xqo by Molmil](/molmil-images/mine/4xqo) | Crystal structure of hemagglutinin from Jiangxi-Donghu (2013) H10N8 influenza virus in complex with 6'-SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ... | Authors: | Tzarum, N, Zhang, H, Zhu, X, Wilson, I.A. | Deposit date: | 2015-01-19 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | A Human-Infecting H10N8 Influenza Virus Retains a Strong Preference for Avian-type Receptors. Cell Host Microbe, 17, 2015
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1OZJ
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![BU of 1ozj by Molmil](/molmil-images/mine/1ozj) | Crystal structure of Smad3-MH1 bound to DNA at 2.4 A resolution | Descriptor: | SMAD 3, Smad binding element, ZINC ION | Authors: | Chai, J, Wu, J.-W, Yan, N, Massague, J, Pavletich, N.P, Shi, Y. | Deposit date: | 2003-04-09 | Release date: | 2004-03-23 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Features of a Smad3 MH1-DNA complex. Roles of water and zinc in DNA binding. J.Biol.Chem., 278, 2003
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1FFW
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![BU of 1ffw by Molmil](/molmil-images/mine/1ffw) | CHEY-BINDING DOMAIN OF CHEA IN COMPLEX WITH CHEY WITH A BOUND IMIDO DIPHOSPHATE | Descriptor: | CHEMOTAXIS PROTEIN CHEA, CHEMOTAXIS PROTEIN CHEY, IMIDO DIPHOSPHATE, ... | Authors: | Gouet, P, Chinardet, N, Welch, M, Guillet, V, Birck, C, Mourey, L, Samama, J.-P. | Deposit date: | 2000-07-26 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Further insights into the mechanism of function of the response regulator CheY from crystallographic studies of the CheY--CheA(124--257) complex. Acta Crystallogr.,Sect.D, 57, 2001
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1P1Q
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1P1U
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![BU of 1p1u by Molmil](/molmil-images/mine/1p1u) | |
4XBB
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![BU of 4xbb by Molmil](/molmil-images/mine/4xbb) | 1.85A resolution structure of Norovirus 3CL protease complex with a covalently bound dipeptidyl inhibitor diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | Descriptor: | 3C-LIKE PROTEASE, SULFATE ION, diethyl [(1R,2S)-2-[(N-{[(3-chlorobenzyl)oxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-(2-oxo-2H-pyrrol-3-yl)propyl]phosphonate | Authors: | Lovell, S, Battaile, K.P, Mehzabeen, N, Kankanamalage, A.C.G, Kim, Y, Weerawarna, P.M, Uy, R.A.Z, Damalanka, V.C, Mandadapu, S.R, Alliston, K.R, Groutas, W.C, Chang, K.-O. | Deposit date: | 2014-12-16 | Release date: | 2015-03-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure-Guided Design and Optimization of Dipeptidyl Inhibitors of Norovirus 3CL Protease. Structure-Activity Relationships and Biochemical, X-ray Crystallographic, Cell-Based, and In Vivo Studies. J.Med.Chem., 58, 2015
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4XD6
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![BU of 4xd6 by Molmil](/molmil-images/mine/4xd6) | Phosphotriesterase Variant E2a | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CACODYLATE ION, Phosphotriesterase variant PTE-E2, ... | Authors: | Jackson, C.J, Campbell, E, Kaltenbach, M, Tokuriki, N. | Deposit date: | 2014-12-19 | Release date: | 2015-12-23 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | The role of protein dynamics in the evolution of new enzyme function. Nat.Chem.Biol., 12, 2016
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