6U9T
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![BU of 6u9t by Molmil](/molmil-images/mine/6u9t) | Wild-type MthK pore in 50 mM K+ | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | Authors: | Posson, D.J, Nimigean, C.M. | Deposit date: | 2019-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel. Proc.Natl.Acad.Sci.USA, 117, 2020
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3LSJ
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6U22
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![BU of 6u22 by Molmil](/molmil-images/mine/6u22) | Crystal structure of SFTI-triazole inhibitor in complex with beta-trypsin | Descriptor: | 1-methyl-1H-1,2,3-triazole, CALCIUM ION, Cationic trypsin, ... | Authors: | White, A.M, King, G.J, Durek, T, Craik, D.J. | Deposit date: | 2019-08-19 | Release date: | 2020-07-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
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3L6G
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![BU of 3l6g by Molmil](/molmil-images/mine/3l6g) | Crystal structure of lactococcal OpuAC in its open conformation | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Betaine ABC transporter permease and substrate binding protein | Authors: | Berntsson, R.P.A, Wolters, J.C, Gul, N, Karasawa, A, Thunnissen, A.M.W.H, Slotboom, D.J, Poolman, B. | Deposit date: | 2009-12-23 | Release date: | 2010-05-19 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand binding and crystal structures of the substrate-binding domain of the ABC transporter OpuA. Plos One, 5, 2010
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3LK0
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![BU of 3lk0 by Molmil](/molmil-images/mine/3lk0) | X-ray structure of bovine SC0067,Ca(2+)-S100B | Descriptor: | 3-(2-chloro-10H-phenothiazin-10-yl)-N,N-dimethylpropan-1-amine, CALCIUM ION, Protein S100-B | Authors: | Charpentier, T.H, Weber, D.J, Wilder, P.W. | Deposit date: | 2010-01-26 | Release date: | 2010-12-29 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction. Int J High Throughput Screen, 2010, 2010
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6UFJ
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![BU of 6ufj by Molmil](/molmil-images/mine/6ufj) | Pistol ribozyme product crystal structure | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*CP*CP*AP*G)-3'), RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(23G))-3'), ... | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | Deposit date: | 2019-09-24 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.645 Å) | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme. Angew.Chem.Int.Ed.Engl., 59, 2020
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3LSR
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6UEY
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![BU of 6uey by Molmil](/molmil-images/mine/6uey) | Pistol ribozyme transition-state analog vanadate | Descriptor: | MAGNESIUM ION, RNA (5'-R(*UP*CP*UP*GP*CP*UP*CP*UP*CP*(GVA)*UP*CP*CP*AP*A)-3'), RNA (50-MER) | Authors: | Teplova, M, Falschlunger, C, Krasheninina, O, Patel, D.J, Micura, R. | Deposit date: | 2019-09-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crucial Roles of Two Hydrated Mg2+Ions in Reaction Catalysis of the Pistol Ribozyme. Angew.Chem.Int.Ed.Engl., 59, 2020
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3LSP
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![BU of 3lsp by Molmil](/molmil-images/mine/3lsp) | Crystal Structure of DesT bound to desCB promoter and oleoyl-CoA | Descriptor: | DNA (5'-D(*TP*CP*AP*AP*TP*CP*GP*AP*GP*TP*CP*AP*AP*CP*AP*AP*GP*CP*GP*TP*TP*CP*AP*CP*TP*GP*AP*TP*GP*TP*A)-3'), DNA (5'-D(*TP*TP*AP*CP*AP*TP*CP*AP*GP*TP*GP*AP*AP*CP*GP*CP*TP*TP*GP*TP*TP*GP*AP*CP*TP*CP*GP*AP*TP*TP*G)-3'), DesT, ... | Authors: | Miller, D.J, White, S.W. | Deposit date: | 2010-02-12 | Release date: | 2010-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.66 Å) | Cite: | Structural basis for the transcriptional regulation of membrane lipid homeostasis. Nat.Struct.Mol.Biol., 17, 2010
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6U7X
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![BU of 6u7x by Molmil](/molmil-images/mine/6u7x) | NMR solution structure of triazole bridged plasmin inhibitor | Descriptor: | 1-methyl-1H-1,2,3-triazole, GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP | Authors: | White, A.M, Harvey, P.J, Wang, C.K, Durek, T, Craik, D.J. | Deposit date: | 2019-09-03 | Release date: | 2020-04-22 | Last modified: | 2020-07-15 | Method: | SOLUTION NMR | Cite: | Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides. Angew.Chem.Int.Ed.Engl., 59, 2020
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6U9P
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![BU of 6u9p by Molmil](/molmil-images/mine/6u9p) | Wild-type MthK pore in ~150 mM K+ | Descriptor: | Calcium-gated potassium channel MthK, HEXANE-1,6-DIOL, POTASSIUM ION | Authors: | Posson, D.J, Nimigean, C.M. | Deposit date: | 2019-09-09 | Release date: | 2020-11-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Selectivity filter ion binding affinity determines inactivation in a potassium channel. Proc.Natl.Acad.Sci.USA, 117, 2020
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6USZ
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![BU of 6usz by Molmil](/molmil-images/mine/6usz) | Identification of the Clinical Development Candidate MRTX849, a Covalent KRASG12C Inhibitor for the Treatment of Cancer | Descriptor: | GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Vigers, G.P, Smith, D.J. | Deposit date: | 2019-10-28 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Identification of the Clinical Development CandidateMRTX849, a Covalent KRASG12CInhibitor for the Treatment of Cancer. J.Med.Chem., 63, 2020
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3JBF
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![BU of 3jbf by Molmil](/molmil-images/mine/3jbf) | Complex of poliovirus with VHH PVSP19B | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.6 Å) | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site. J.Virol., 90, 2016
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3JPZ
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![BU of 3jpz by Molmil](/molmil-images/mine/3jpz) | Crystal Structure of Lombricine Kinase | Descriptor: | Lombricine kinase, NITRATE ION | Authors: | Bush, D.J, Kirillova, O, Clark, S.A, Fabiola, F, Somasundaram, T, Chapman, M.S. | Deposit date: | 2009-09-04 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The structure of lombricine kinase: implications for phosphagen kinase conformational changes. J.Biol.Chem., 286, 2011
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3JBE
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![BU of 3jbe by Molmil](/molmil-images/mine/3jbe) | Complex of poliovirus with VHH PVSS8A | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site. J.Virol., 90, 2016
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3JQ3
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![BU of 3jq3 by Molmil](/molmil-images/mine/3jq3) | Crystal Structure of Lombricine Kinase, complexed with substrate ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lombricine kinase | Authors: | Bush, D.J, Kirillova, O, Clark, S.A, Fabiola, F, Somasundaram, T, Chapman, M.S. | Deposit date: | 2009-09-05 | Release date: | 2010-09-15 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | The structure of lombricine kinase: implications for phosphagen kinase conformational changes. J.Biol.Chem., 286, 2011
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5TBX
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![BU of 5tbx by Molmil](/molmil-images/mine/5tbx) | hnRNP A18 RNA Recognition Motif | Descriptor: | ACETATE ION, Cold-inducible RNA-binding protein, NICKEL (II) ION | Authors: | Coburn, K.M, Melville, Z, Aligholizadeh, E, Roth, B.M, Varney, K.M, Weber, D.J. | Deposit date: | 2016-09-13 | Release date: | 2017-04-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.767 Å) | Cite: | Crystal structure of the human heterogeneous ribonucleoprotein A18 RNA-recognition motif. Acta Crystallogr F Struct Biol Commun, 73, 2017
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5TLU
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![BU of 5tlu by Molmil](/molmil-images/mine/5tlu) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the PEG-linked Dimeric Estrogen, EE2-(eg)6-EE2-amine | Descriptor: | (14beta,17alpha)-21-(4-aminophenyl)-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol, Estrogen receptor, NUCLEAR RECEPTOR COACTIVATOR 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.223 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TM3
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![BU of 5tm3 by Molmil](/molmil-images/mine/5tm3) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with 2,3-bis(2-chloro-4-hydroxyphenyl)thiophene 1-oxide | Descriptor: | (1S)-2,3-bis(2-chloro-4-hydroxyphenyl)-1H-1lambda~4~-thiophen-1-one, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-12 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.194 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TML
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![BU of 5tml by Molmil](/molmil-images/mine/5tml) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS-ASC compound, (E)-6-(4-((1R,4S,6R)-6-((3-chlorophenoxy)sulfonyl)-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl)phenyl)hex-5-enoic acid | Descriptor: | 6-{4-[(1S,4S,6R)-6-[(3-chlorophenoxy)sulfonyl]-3-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-en-2-yl]phenyl}hex-5-enoic acid, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TMV
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![BU of 5tmv by Molmil](/molmil-images/mine/5tmv) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the OBHS analog, 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate | Descriptor: | 4-iodophenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Erumbi, R, Srinivasan, S, Bruno, N.E, Nowak, J, Izard, T, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5TN5
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![BU of 5tn5 by Molmil](/molmil-images/mine/5tn5) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with the AC-ring estrogen, (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol | Descriptor: | (1S,3aS,5S,7aS)-5-(4-hydroxyphenyl)-7a-methyloctahydro-1H-inden-1-ol, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-10-13 | Release date: | 2017-01-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.892 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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3JBC
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![BU of 3jbc by Molmil](/molmil-images/mine/3jbc) | Complex of Poliovirus with VHH PVSP29F | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (5.6 Å) | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site. J.Virol., 90, 2016
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3JBG
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![BU of 3jbg by Molmil](/molmil-images/mine/3jbg) | Complex of poliovirus with VHH PVSS21E | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | Authors: | Strauss, M, Schotte, L, Thys, B, Filman, D.J, Hogle, J.M. | Deposit date: | 2015-08-26 | Release date: | 2016-01-27 | Last modified: | 2022-12-21 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Five of Five VHHs Neutralizing Poliovirus Bind the Receptor-Binding Site. J.Virol., 90, 2016
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6SLZ
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![BU of 6slz by Molmil](/molmil-images/mine/6slz) | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist | Descriptor: | (2~{S})-1-[2,4-bis(chloranyl)-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]carbonyl-~{N}-methyl-pyrrolidine-2-carboxamide, Nuclear receptor ROR-gamma | Authors: | Amaudrut, J, Argiriadi, M.A, Barth, M, Breinlinger, E.C, Calderwood, D.J, Cusack, K.P, Kort, M.E, Montalbetti, C, Potin, D, Poupardin, O, Spitzer, L. | Deposit date: | 2019-08-21 | Release date: | 2020-09-09 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of human ROR gamma LBD in complex with a (quinolinoxymethyl)benzamide inverse agonist To Be Published
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