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4I0W
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Structure of the Clostridium Perfringens CspB protease
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Protease CspB, ...
著者Adams, C.M, Eckenroth, B.E, Doublie, S.
登録日2012-11-19
公開日2013-04-03
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and functional analysis of the CspB protease required for Clostridium spore germination.
Plos Pathog., 9, 2013
2QTS
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BU of 2qts by Molmil
Structure of an acid-sensing ion channel 1 at 1.9 A resolution and low pH
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Acid-sensing ion channel, CHLORIDE ION, ...
著者Jasti, J, Furukawa, H, Gonzales, E.B, Gouaux, E.
登録日2007-08-02
公開日2007-09-25
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of acid-sensing ion channel 1 at 1.9A resolution and low pH
Nature, 449, 2007
1V0Z
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Structure of Neuraminidase from English duck subtype N6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F.
登録日2004-03-12
公開日2006-01-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
4BAF
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Hen egg-white lysozyme structure in complex with the europium tris- hydroxyethyltriazoledipicolinate complex at 1.51 A resolution.
分子名称: 4-(4-(2-hydroxyethyl)-1H-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid, ACETATE ION, CHLORIDE ION, ...
著者Talon, R, Kahn, R, Gautier, A, Nauton, L, Girard, E.
登録日2012-09-14
公開日2012-11-14
最終更新日2019-03-06
実験手法X-RAY DIFFRACTION (1.507 Å)
主引用文献Clicked Europium Dipicolinate Complexes for Protein X-Ray Structure Determination.
Chem.Commun.(Camb.), 48, 2012
3BR2
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BU of 3br2 by Molmil
Crystal Structure of the Complex of Dequalinium Bound to QacR(E120Q), a Mutant of a Multidrug Binding Transcriptional Repressor
分子名称: DEQUALINIUM, HTH-type transcriptional regulator qacR, SULFATE ION
著者Brooks, B.E.
登録日2007-12-20
公開日2008-12-23
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Formal electrostatic interactions do not govern QacR-cation affinity
To be Published
5KTI
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BU of 5kti by Molmil
Structure of cow mincle complexed with KMJ1
分子名称: 2,3-dimethoxybenzoic acid, CALCIUM ION, TRIETHYLENE GLYCOL, ...
著者Feinberg, H, Rambaruth, N.D.S, Jegouzo, S.A.F, Jacobsen, K.M, Djurhuus, R, Poulsen, T.B, Taylor, M.E, Drickamer, K, Weis, W.I.
登録日2016-07-11
公開日2016-08-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Binding Sites for Acylated Trehalose Analogs of Glycolipid Ligands on an Extended Carbohydrate Recognition Domain of the Macrophage Receptor Mincle.
J.Biol.Chem., 291, 2016
6BXG
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1.45 Angstrom Resolution Crystal Structure of PDZ domain of Carboxy-Terminal Protease from Vibrio cholerae in Complex with Peptide.
分子名称: CHLORIDE ION, IODIDE ION, LEU-ILE-ALA, ...
著者Minasov, G, Shuvalova, L, Filippova, E.V, Kiryukhina, O, Grimshaw, S, Kwon, K, Anderson, W.F, Satchell, K.J.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2017-12-18
公開日2018-01-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献1.45 Angstrom Resolution Crystal Structure of PDZ domain of Carboxy-Terminal Protease from Vibrio cholerae in Complex with Peptide.
To Be Published
5KTP
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Crystal structure of Pyrococcus horikoshii quinolinate synthase (NadA) with bound itaconate and Fe4S4 cluster
分子名称: 2-methylidenebutanedioic acid, AMMONIUM ION, CHLORIDE ION, ...
著者Fenwick, M.K, Ealick, S.E.
登録日2016-07-12
公開日2016-07-27
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.542 Å)
主引用文献Crystal Structures of the Iron-Sulfur Cluster-Dependent Quinolinate Synthase in Complex with Dihydroxyacetone Phosphate, Iminoaspartate Analogues, and Quinolinate.
Biochemistry, 55, 2016
5VRO
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BU of 5vro by Molmil
ABA-mimicking ligand AMF1beta in complex with ABA receptor PYL2 and PP2C HAB1
分子名称: 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide, Abscisic acid receptor PYL2, MAGNESIUM ION, ...
著者Cao, M.-J, Zhang, Y.-L, Liu, X, Huang, H, Zhou, X.E, Wang, W.-L, Zeng, A, Zhao, C.-Z, Si, T, Du, J.-M, Wu, W.-W, Wang, F.-X, Xu, H.X, Zhu, J.-K.
登録日2017-05-11
公開日2017-11-15
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.257 Å)
主引用文献Combining chemical and genetic approaches to increase drought resistance in plants.
Nat Commun, 8, 2017
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
分子名称: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
登録日2019-06-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of human KCTD1
To be published
5KUB
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BU of 5kub by Molmil
Bacillus cereus DNA glycosylase AlkD bound to 7-methylguanine nucleobase and DNA containing an oxocarbenium-intermediate analog
分子名称: 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, DNA (5'-D(*CP*CP*CP*GP*AP*(NRI)P*AP*GP*TP*CP*CP*G)-3'), DNA (5'-D(*CP*GP*GP*AP*CP*TP*CP*TP*CP*GP*GP*G)-3'), ...
著者Mullins, E.A, Eichman, B.F.
登録日2016-07-13
公開日2016-09-14
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A Catalytic Role for C-H/ pi Interactions in Base Excision Repair by Bacillus cereus DNA Glycosylase AlkD.
J.Am.Chem.Soc., 138, 2016
1I6O
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BU of 1i6o by Molmil
CRYSTAL STRUCTURE OF E. COLI BETA CARBONIC ANHYDRASE (ECCA)
分子名称: CARBONIC ANHYDRASE, ZINC ION
著者Cronk, J.D, Endrizzi, J.A, Cronk, M.R, O'Neill, J.W, Zhang, K.Y.J.
登録日2001-03-02
公開日2001-05-09
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of E. coli beta-carbonic anhydrase, an enzyme with an unusual pH-dependent activity.
Protein Sci., 10, 2001
5KPG
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BU of 5kpg by Molmil
Pavine N-methyltransferase in complex with S-adenosylhomocysteine pH 7
分子名称: Pavine N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
著者Torres, M.A, Hoffarth, E, Eugenio, L, Savtchouk, J, Chen, X, Morris, J, Facchini, P.J, Ng, K.K.S.
登録日2016-07-04
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural and Functional Studies of Pavine N-Methyltransferase from Thalictrum flavum Reveal Novel Insights into Substrate Recognition and Catalytic Mechanism.
J.Biol.Chem., 291, 2016
6V1C
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BU of 6v1c by Molmil
Crystal structure of human trefoil factor 3 in complex with its cognate ligand
分子名称: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-galactopyranose, Trefoil factor 3
著者Jarva, M.A, Lingford, J.P, John, A, Scott, N.E, Goddard-Borger, E.D.
登録日2019-11-20
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Trefoil factors share a lectin activity that defines their role in mucus.
Nat Commun, 11, 2020
5NWX
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BU of 5nwx by Molmil
Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6
分子名称: Nuclear receptor coactivator 1, Signal transducer and activator of transcription 6
著者Russo, L, Giller, K, Pfitzner, E, Griesinger, C, Becker, S.
登録日2017-05-08
公開日2017-12-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.51 Å)
主引用文献Insight into the molecular recognition mechanism of the coactivator NCoA1 by STAT6.
Sci Rep, 7, 2017
6S0P
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BU of 6s0p by Molmil
Plant Cysteine Oxidase PCO4 from Arabidopsis thaliana
分子名称: FE (III) ION, Plant cysteine oxidase 4
著者White, M.D, Flashman, E, McDonough, M.A.
登録日2019-06-17
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Structures of Arabidopsis thaliana oxygen-sensing plant cysteine oxidases 4 and 5 enable targeted manipulation of their activity.
Proc.Natl.Acad.Sci.USA, 117, 2020
1BLS
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BU of 1bls by Molmil
CRYSTALLOGRAPHIC STRUCTURE OF A PHOSPHONATE DERIVATIVE OF THE ENTEROBACTER CLOACAE P99 CEPHALOSPORINASE: MECHANISTIC INTERPRETATION OF A BETA-LACTAMASE TRANSITION STATE ANALOG
分子名称: (P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACID, BETA-LACTAMASE
著者Knox, J.R, Moews, P.C, Lobkovsky, E.
登録日1993-12-17
公開日1995-05-08
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic structure of a phosphonate derivative of the Enterobacter cloacae P99 cephalosporinase: mechanistic interpretation of a beta-lactamase transition-state analog.
Biochemistry, 33, 1994
6V66
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EGFR(T790M/V948R) in complex with LN2899
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Epidermal growth factor receptor, ...
著者Heppner, D.E, Eck, M.J.
登録日2019-12-04
公開日2020-04-22
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structural Basis for EGFR Mutant Inhibition by Trisubstituted Imidazole Inhibitors.
J.Med.Chem., 63, 2020
5O0H
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BU of 5o0h by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 2-(4-Chloro-3-nitrobenzoyl)benzoic acid (Fragment 6)
分子名称: 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid, Phosphopantetheine adenylyltransferase
著者Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
登録日2017-05-16
公開日2017-06-28
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
7W6F
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BU of 7w6f by Molmil
Polyketide cyclase OAC-F24I mutant from Cannabis sativa in complex with 6-nonylresorcylic acid
分子名称: 2-nonyl-4,6-bis(oxidanyl)benzoic acid, GLYCEROL, Olivetolic acid cyclase
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
5L11
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Human Liver Receptor Homologue-1 (LRH-1) Bound to RJW100 and a Fragment of TIF-2
分子名称: (1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(1-phenylethenyl)-1,2,3,3a,6,6a-hexahydropentalen-1-ol, Nuclear receptor subfamily 5 group A member 2, Tif2
著者Mays, S.G, Ortlund, E.A.
登録日2016-07-28
公開日2016-10-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.849 Å)
主引用文献Crystal Structures of the Nuclear Receptor, Liver Receptor Homolog 1, Bound to Synthetic Agonists.
J. Biol. Chem., 291, 2016
7W6G
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TKS-L190G mutant from Cannabis sativa in complex with lauroyl-CoA
分子名称: 3,5,7-trioxododecanoyl-CoA synthase, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Nakashima, Y, Lee, Y.E, Morita, H.
登録日2021-12-01
公開日2022-02-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dual Engineering of Olivetolic Acid Cyclase and Tetraketide Synthase to Generate Longer Alkyl-Chain Olivetolic Acid Analogs.
Org.Lett., 24, 2022
2OC1
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Structure of the HCV NS3/4A Protease Inhibitor CVS4819
分子名称: (2S)-({N-[(3S)-3-({N-[(2S,4E)-2-ISOPROPYL-7-METHYLOCT-4-ENOYL]-L-LEUCYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETI C ACID, Hepatitis C virus, ZINC ION
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 (2.7 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
5O2Z
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Domain swap dimer of the G167R variant of gelsolin second domain
分子名称: ACETATE ION, CALCIUM ION, CITRATE ANION, ...
著者Boni, F, Milani, M, Mastrangelo, E, de Rosa, M.
登録日2017-05-23
公開日2017-11-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Gelsolin pathogenic Gly167Arg mutation promotes domain-swap dimerization of the protein.
Hum. Mol. Genet., 27, 2018
3ZXW
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STRUCTURE OF ACTIVATED RUBISCO FROM THERMOSYNECHOCOCCUS ELONGATUS COMPLEXED WITH 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE
分子名称: 2-CARBOXYARABINITOL-1,5-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Terlecka, B, Wilhelmi, V, Bialek, W, Gubernator, B, Szczepaniak, A, Hofmann, E.
登録日2011-08-16
公開日2012-08-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of Ribulose-1,5-Bisphosphate Carboxylase Oxygenase from Thermosynechococcus Elongatus
To be Published

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