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4RW3
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BU of 4rw3 by Molmil
Structural insights into substrate binding of brown spider venom class II phospholipases D
分子名称: D-MYO-INOSITOL-1-PHOSPHATE, DECANOIC ACID, DI(HYDROXYETHYL)ETHER, ...
著者Coronado, M.A, Ullah, A, da Silva, L.S, Chaves-Moreira, D, Vuitika, L, Chaim, O.M, Veiga, S.S, Chahine, J, Murakami, M.T, Arni, R.K.
登録日2014-12-01
公開日2015-06-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Structural Insights into Substrate Binding of Brown Spider Venom Class II Phospholipases D.
Curr Protein Pept Sci, 16, 2015
2CM3
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BU of 2cm3 by Molmil
Structure of Protein Tyrosine Phosphatase 1B (C2)
分子名称: CALCIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
登録日2006-05-04
公開日2006-08-17
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
2CMA
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BU of 2cma by Molmil
Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics
分子名称: N-BENZOYL-L-PHENYLALANYL-4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]-L-PHENYLALANINAMIDE, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1
著者Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R.
登録日2006-05-04
公開日2006-08-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
4X80
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BU of 4x80 by Molmil
Crystal Structure of murine 7B4 Fab monoclonal antibody against ADAMTS5
分子名称: IgG1 7B4 FAB Heavy chain, IgG1 7B4 FAB Light Chain
著者Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J.
登録日2014-12-09
公開日2015-04-08
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
4X8J
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BU of 4x8j by Molmil
Crystal Structure of murine 12F4 Fab monoclonal antibody against ADAMTS5
分子名称: 12F4 FAB Heavy chain, 12F4 FAB Light chain, NONAETHYLENE GLYCOL, ...
著者Larkin, J, Lohr, T.A, Elefante, L, Shearin, J, Matico, R, Su, J.-L, Xue, Y, Liu, F, Genell, C, Miller, R.E, Tran, P.B, Malfait, A.-M, Maier, C.C, Matheny, C.J.
登録日2014-12-10
公開日2015-04-08
最終更新日2015-08-05
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Translational development of an ADAMTS-5 antibody for osteoarthritis disease modification.
Osteoarthr. Cartil., 23, 2015
5NXE
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BU of 5nxe by Molmil
Crystal structure of TNKS2 in complex with 2-{4-[(2-hydroxyethyl)(methyl)amino]phenyl}-1,2,3,4-tetrahydroquinazolin-4-one
分子名称: 2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-2,3-dihydro-1~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-10
公開日2018-03-21
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
4X4Q
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BU of 4x4q by Molmil
Crystal structure of the A.fulgidus CCA-adding enzyme in complex with a G70A arginyl-tRNA minihelix ending in CCAC and CTP
分子名称: CCA-adding enzyme, CYTIDINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Kuhn, C.-D, Joshua-Tor, L.
登録日2014-12-03
公開日2015-02-11
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献On-Enzyme Refolding Permits Small RNA and tRNA Surveillance by the CCA-Adding Enzyme.
Cell, 160, 2015
2OC0
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BU of 2oc0 by Molmil
Structure of NS3 complexed with a ketoamide inhibitor SCh491762
分子名称: BETA-MERCAPTOETHANOL, Hepatitis C Virus, Hepatitis C virus, ...
著者Prongay, A.J, Guo, Z, Yao, N, Fischmann, T, Strickland, C, Myers Jr, J, Weber, P.C, Malcolm, B, Beyer, B.M, Ingram, R, Pichardo, J, Hong, Z, Prosise, W.W, Ramanathan, L, Taremi, S.S, Yarosh-Tomaine, T, Zhang, R, Senior, M, Yang, R, Arasappan, A, Bennett, F, Bogen, S.F, Chen, K, Jao, E, Liu, Y, Love, R.G, Saksena, A.K, Venkatraman, S, Girijavallabhan, V, Njoroge, F.G, Madison, V.
登録日2006-12-20
公開日2007-07-31
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of the HCV NS3/4A protease inhibitor (1R,5S)-N-[3-amino-1-(cyclobutylmethyl)-2,3-dioxopropyl]-3- [2(S)-[[[(1,1-dimethylethyl)amino]carbonyl]amino]-3,3-dimethyl-1-oxobutyl]- 6,6-dimethyl-3-azabicyclo[3.1.0]hexan-2(S)-carboxamide (Sch 503034) II. Key steps in structure-based optimization.
J.Med.Chem., 50, 2007
2DZY
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BU of 2dzy by Molmil
Crystal structure of N392A mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-09-30
公開日2007-08-14
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007
4RNS
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BU of 4rns by Molmil
PcpR inducer binding domain (apo-form)
分子名称: PCP degradation transcriptional activation protein
著者Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C.
登録日2014-10-25
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
1CYE
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BU of 1cye by Molmil
THREE DIMENSIONAL STRUCTURE OF CHEMOTACTIC CHE Y PROTEIN IN AQUEOUS SOLUTION BY NUCLEAR MAGNETIC RESONANCE METHODS
分子名称: CHEY
著者Santoro, J, Bruix, M, Pascual, J, Lopez, E, Serrano, L, Rico, M.
登録日1994-10-21
公開日1995-02-07
最終更新日2024-04-10
実験手法SOLUTION NMR
主引用文献Three-dimensional structure of chemotactic Che Y protein in aqueous solution by nuclear magnetic resonance methods.
J.Mol.Biol., 247, 1995
7UCU
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BU of 7ucu by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 85K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-17
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEI
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BU of 7uei by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 100 K, 1.2 A, crystal 16
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UDW
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BU of 7udw by Molmil
Designed pentameric proton channel QQLL
分子名称: De novo designed pentameric proton channel QQLL
著者Kratochvil, H.T, Thomaston, J.L, Mravic, M, Nicoludis, J, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
7UC9
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BU of 7uc9 by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 45 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-16
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEC
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BU of 7uec by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 50 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
4RPE
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BU of 4rpe by Molmil
Crystal Structure of Variant G186E from Pseudomonas Aeruginosa Lipoxygenase 2 at 1.60A (C2)
分子名称: (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradecanoyloxy)propyl octadecanoate, FE (II) ION, Linoleate 9/13-lipoxygenase
著者Carpena, X, Garreta, A, Herrero, L, Fita, I.
登録日2014-10-30
公開日2015-11-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal Structure of Lipoxygenase 2 in space group C2
To be Published
4RPO
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BU of 4rpo by Molmil
PcpR inducer binding domain (Complex with 2,4,6-trichlorophenol)
分子名称: 2,4,6-trichlorophenol, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Hayes, R.P, Moural, T.W, Lewis, K.M, Onofrei, D, Xun, L, Kang, C.
登録日2014-10-30
公開日2014-11-26
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structures of the Inducer-Binding Domain of Pentachlorophenol-Degrading Gene Regulator PcpR from Sphingobium chlorophenolicum.
Int J Mol Sci, 15, 2014
7UDE
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BU of 7ude by Molmil
Horse liver alcohol dehydrogenase with NAD and trifluoroethanol at 125 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, Alcohol dehydrogenase E chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM), ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-18
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
4YOO
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BU of 4yoo by Molmil
p107 pocket domain in complex with LIN52 P29A peptide
分子名称: LIN52 peptide, Retinoblastoma-like protein 1,Retinoblastoma-like protein 1, SULFATE ION
著者Guiley, K.Z, Liban, T.J, Felthousen, J.G, Ramanan, P, Tripathi, S, Litovchick, L, Rubin, S.M.
登録日2015-03-12
公開日2015-05-13
最終更新日2019-12-04
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural mechanisms of DREAM complex assembly and regulation.
Genes Dev., 29, 2015
7UEF
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BU of 7uef by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 85 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
7UEE
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BU of 7uee by Molmil
Horse liver alcohol dehydrogenase with NAD and pentafluorobenzyl alcohol at 75 K
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL, Alcohol dehydrogenase E chain, ...
著者Plapp, B.V, Gakhar, L.
登録日2022-03-21
公開日2022-03-30
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Dependence of crystallographic atomic displacement factors on temperature (25-150 K) for complexes of horse liver alcohol dehydrogenases
Acta Crystallogr.,Sect.D, D78, 2022
5NWC
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BU of 5nwc by Molmil
Crystal structure of TNKS2 in complex with 2-(2-aminophenyl)-3,4-dihydroquinazolin-4-one
分子名称: 2-(2-aminophenyl)-3~{H}-quinazolin-4-one, GLYCEROL, SULFATE ION, ...
著者Nkizinkiko, Y, Haikarainen, T, Lehtio, L.
登録日2017-05-05
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献2-Phenylquinazolinones as dual-activity tankyrase-kinase inhibitors.
Sci Rep, 8, 2018
7UDV
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BU of 7udv by Molmil
Designed pentameric proton channel LLQL
分子名称: De novo designed proton channel LLQL
著者Kratochvil, H.T, Thomaston, J.L, Liu, L, DeGrado, W.F.
登録日2022-03-20
公開日2022-04-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Transient water wires mediate selective proton transport in designed channel proteins.
Nat.Chem., 15, 2023
2E01
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BU of 2e01 by Molmil
Crystal structure of H369A mutant of yeast bleomycin hydrolase
分子名称: Cysteine proteinase 1
著者O'Farrell, P.A, Joshua-Tor, L.
登録日2006-10-01
公開日2007-08-14
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Mutagenesis and crystallographic studies of the catalytic residues of the papain family protease bleomycin hydrolase: new insights into active-site structure
Biochem.J., 401, 2007

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