7U9S
 
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6DQL
 | | Crystal structure of Regulator of Proteinase B RopB complexed with SIP | | 分子名称: | Regulator of Proteinase B RopB, SpeB-inducing peptide (SIP) | | 著者 | Do, H, Makthal, N, VanderWal, A.R, Olsen, R.J, Musser, J.M, Kumaraswami, M. | | 登録日 | 2018-06-11 | | 公開日 | 2019-05-15 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Environmental pH and peptide signaling control virulence of Streptococcus pyogenes via a quorum-sensing pathway.
Nat Commun, 10, 2019
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7U9U
 | | Crystal structure of human D-amino acid oxidase in complex with inhibitor | | 分子名称: | (3R)-3-(5,6-dioxo-1,4,5,6-tetrahydropyrazin-2-yl)-2,3-dihydro-1,4-benzoxathiine-7-carbonitrile, BENZOIC ACID, D-amino-acid oxidase, ... | | 著者 | Skene, R.J, Bell, J.A. | | 登録日 | 2022-03-11 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Discovery of a Novel Class of d-Amino Acid Oxidase Inhibitors Using the Schrodinger Computational Platform.
J.Med.Chem., 65, 2022
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4AK4
 | | High resolution structure of Galactose Binding lectin from Champedak (CGB) | | 分子名称: | AGGLUTININ ALPHA CHAIN, AGGLUTININ BETA-4 CHAIN, HEXAETHYLENE GLYCOL | | 著者 | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | | 登録日 | 2012-02-21 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins
Acta Crystallogr.,Sect.F, 70, 2014
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4AKD
 | | High resolution structure of Mannose Binding lectin from Champedak (CMB) | | 分子名称: | CADMIUM ION, CHLORIDE ION, MANNOSE-SPECIFIC LECTIN KM+ | | 著者 | Gabrielsen, M, Abdul-Rahman, P.S, Othman, S, Hashim, O.H, Cogdell, R.J. | | 登録日 | 2012-02-22 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | Structures and Binding Specificity of Galactose- and Mannose-Binding Lectins from Champedak: Differences from Jackfruit Lectins
Acta Crystallogr.,Sect.F, 70, 2014
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6DIK
 | | Crystal structure of Bothropstoxin I (BthTX-I) complexed to Chicoric acid | | 分子名称: | (2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid, BICARBONATE ION, Basic phospholipase A2 homolog bothropstoxin-1, ... | | 著者 | Cardoso, F.F, Salvador, G.H.M, Borges, R.J. | | 登録日 | 2018-05-23 | | 公開日 | 2018-10-03 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.93 Å) | | 主引用文献 | Structural basis of phospholipase A2-like myotoxin inhibition by chicoric acid, a novel potent inhibitor of ophidian toxins.
Biochim Biophys Acta Gen Subj, 1862, 2018
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4PKB
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7TXF
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4N5C
 | | Crystal structure of Ypp1 | | 分子名称: | Cargo-transport protein YPP1 | | 著者 | Wu, X, Chi, R.J, Baskin, J.M, Lucast, L, Burd, C.G, De Camilli, P, Reinisch, K.M. | | 登録日 | 2013-10-09 | | 公開日 | 2014-01-22 | | 最終更新日 | 2014-03-19 | | 実験手法 | X-RAY DIFFRACTION (3.25 Å) | | 主引用文献 | Structural insights into assembly and regulation of the plasma membrane phosphatidylinositol 4-kinase complex.
Dev.Cell, 28, 2014
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6E0I
 | | Crystal structure of Glucokinase in complex with compound 72 | | 分子名称: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1 -yl}ethan-1-one, DIMETHYL SULFOXIDE, Glucokinase, ... | | 著者 | Hinklin, R.J, Baer, B.R, Boyd, S.A, Chicarelli, M.D, Condroski, K.R, DeWolf, W.E, Fischer, J, Frank, M, Hingorani, G.P, Lee, P.A, Neitzel, N.A, Pratt, S.A, Singh, A, Sullivan, F.X, Turner, T, Voegtli, W.C, Wallace, E.M, Williams, L, Aicher, T.D. | | 登録日 | 2018-07-06 | | 公開日 | 2019-07-10 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | Discovery and preclinical development of AR453588 as an anti-diabetic glucokinase activator.
Bioorg.Med.Chem., 28, 2020
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7UYF
 | | Human PRMT5:MEP50 structure with Fragment 4 and MTA Bound | | 分子名称: | 4-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ... | | 著者 | Gunn, R.J, Lawson, J.D, Smith, C.R. | | 登録日 | 2022-05-06 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.82 Å) | | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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7UY1
 | | HUMAN PRMT5:MEP50 COMPLEX WITH MTA and Fragment 5 Bound | | 分子名称: | 1,2-ETHANEDIOL, 3-methyl-1,5-naphthyridin-2-amine, 5'-DEOXY-5'-METHYLTHIOADENOSINE, ... | | 著者 | Gunn, R.J. | | 登録日 | 2022-05-06 | | 公開日 | 2022-10-05 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Fragment optimization and elaboration strategies - the discovery of two lead series of PRMT5/MTA inhibitors from five fragment hits.
Rsc Med Chem, 13, 2022
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7UKR
 | | Crystal Structure of SOS1 with MRTX0902, a Potent and Selective Inhibitor of the SOS1:KRAS Protein-Protein Interaction | | 分子名称: | 2-methyl-3-[(1R)-1-{[4-methyl-7-(morpholin-4-yl)pyrido[3,4-d]pyridazin-1-yl]amino}ethyl]benzonitrile, Son of sevenless homolog 1 | | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | 登録日 | 2022-04-01 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.5 Å) | | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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1NQH
 | | OUTER MEMBRANE COBALAMIN TRANSPORTER (BTUB) FROM E. COLI, WITH BOUND CALCIUM AND CYANOCOBALAMIN (VITAMIN B12) SUBSTRATE | | 分子名称: | (HYDROXYETHYLOXY)TRI(ETHYLOXY)OCTANE, CALCIUM ION, CYANOCOBALAMIN, ... | | 著者 | Chimento, D.P, Mohanty, A.K, Kadner, R.J, Wiener, M.C. | | 登録日 | 2003-01-21 | | 公開日 | 2003-04-29 | | 最終更新日 | 2023-08-16 | | 実験手法 | X-RAY DIFFRACTION (3.1 Å) | | 主引用文献 | Substrate-induced transmembrane signaling in the cobalamin transporter BtuB
Nat.Struct.Biol., 10, 2003
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7UKS
 | | Crystal structure of SOS1 with phthalazine inhibitor bound (compound 15) | | 分子名称: | 4-methyl-N-{(1R)-1-[2-methyl-3-(trifluoromethyl)phenyl]ethyl}-7-(piperazin-1-yl)phthalazin-1-amine, Son of sevenless homolog 1 | | 著者 | Gunn, R.J, Lawson, J.D, Ketcham, J.M, Marx, M.A. | | 登録日 | 2022-04-01 | | 公開日 | 2022-07-27 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.29 Å) | | 主引用文献 | Design and Discovery of MRTX0902, a Potent, Selective, Brain-Penetrant, and Orally Bioavailable Inhibitor of the SOS1:KRAS Protein-Protein Interaction.
J.Med.Chem., 65, 2022
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7UOH
 | | PRMT5/MEP50 crystal structure with MTA and an achiral, class 1, non-atropisomeric inhibitor bound | | 分子名称: | (2M)-2-[(4M)-4-{4-(aminomethyl)-1-oxo-8-[(2R)-oxolan-2-yl]-1,2-dihydrophthalazin-6-yl}-1-methyl-1H-pyrazol-5-yl]-1-benzothiophene-3-carbonitrile, 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, ... | | 著者 | Gunn, R.J, Thomas, N.C, Lawson, J.D, Ivetac, A, Kulyk, S, Smith, C.R, Marx, M.A. | | 登録日 | 2022-04-12 | | 公開日 | 2022-08-17 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Design and evaluation of achiral, non-atropisomeric 4-(aminomethyl)phthalazin-1(2H)-one derivatives as novel PRMT5/MTA inhibitors.
Bioorg.Med.Chem., 71, 2022
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4PPK
 | | Crystal structure of eCGP123 T69V variant at pH 7.5 | | 分子名称: | Monomeric Azami Green | | 著者 | Don Paul, C, Traore, D.A.K, Devenish, R.J, Close, D, Bell, T, Bradbury, A, Wilce, M.C.J, Prescott, M. | | 登録日 | 2014-02-27 | | 公開日 | 2015-04-08 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | X-Ray Crystal Structure and Properties of Phanta, a Weakly Fluorescent Photochromic GFP-Like Protein.
Plos One, 10, 2015
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4P8S
 | | Crystal structure of Nogo-receptor-2 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Semavina, M, Saha, N, Kolev, M.V, Giger, R.J, Himanen, J.P, Nikolov, D.B. | | 登録日 | 2014-04-01 | | 公開日 | 2014-04-09 | | 最終更新日 | 2023-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure of the Nogo-receptor-2.
Protein Sci., 2011
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6CFB
 | | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti | | 分子名称: | barrettide A | | 著者 | Rosengren, K.J, Carstens, B.B, Clark, R.J, Goransson, U. | | 登録日 | 2018-02-14 | | 公開日 | 2018-03-21 | | 最終更新日 | 2020-01-01 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Isolation, Characterization, and Synthesis of the Barrettides: Disulfide-Containing Peptides from the Marine Sponge Geodia barretti.
J. Nat. Prod., 78, 2015
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6CE8
 | | Crystal structure of fragment 2-(Benzo[d]thiazol-2-yl)acetic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | (1,3-benzothiazol-2-yl)acetic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-11 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEC
 | | Crystal structure of fragment 3-(3-Methoxy-2-quinoxalinyl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | 3-(3-methoxyquinoxalin-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Franzoni, I, Ravichandran, M, Lautens, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-11 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6CEF
 | | Crystal structure of fragment 3-(1,3-Benzothiazol-2-yl)propanoic acid bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain | | 分子名称: | 3-(1,3-benzothiazol-2-yl)propanoic acid, Histone deacetylase 6, UNKNOWN ATOM OR ION, ... | | 著者 | Harding, R.J, Halabelian, L, Ferreira de Freitas, R, Ravichandran, M, Santhakumar, V, Schapira, M, Bountra, C, Edwards, A.M, Arrowsmith, C.M, Structural Genomics Consortium (SGC) | | 登録日 | 2018-02-11 | | 公開日 | 2018-02-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Identification and Structure-Activity Relationship of HDAC6 Zinc-Finger Ubiquitin Binding Domain Inhibitors.
J. Med. Chem., 61, 2018
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6BXD
 | | Crystal structure of Variable Lymphocyte Receptor 2 (VLR2) | | 分子名称: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, SULFATE ION, Variable Lymphocyte Receptor 2 | | 著者 | Gunn, R.J, Wilson, I.A, Cooper, M.D, Herrin, B.R. | | 登録日 | 2017-12-18 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.103 Å) | | 主引用文献 | VLR Recognition of TLR5 Expands the Molecular Characterization of Protein Antigen Binding by Non-Ig-based Antibodies.
J. Mol. Biol., 430, 2018
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4N6T
 | | Adhiron: a stable and versatile peptide display scaffold - full length adhiron | | 分子名称: | Adhiron | | 著者 | Mcpherson, M, Tomlinson, D, Owen, R.L, Nettleship, J.E, Owens, R.J. | | 登録日 | 2013-10-14 | | 公開日 | 2014-04-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | | 主引用文献 | Adhiron: a stable and versatile peptide display scaffold for molecular recognition applications.
Protein Eng.Des.Sel., 27, 2014
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6BXE
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