4O2E
 
 | | A peptide complexed with HLA-B*3901 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | | 著者 | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | | 登録日 | 2013-12-17 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.981 Å) | | 主引用文献 | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation
J.Immunol., 192, 2014
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4O2F
 | | A peptide complexed with HLA-B*3901 | | 分子名称: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B-39 alpha chain, ... | | 著者 | Sun, M, Liu, J, Qi, J, Tefsen, B, Shi, Y, Yan, J, Gao, G.F. | | 登録日 | 2013-12-17 | | 公開日 | 2014-07-23 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (1.901 Å) | | 主引用文献 | N alpha-terminal acetylation for T cell recognition: molecular basis of MHC class I-restricted n alpha-acetylpeptide presentation
J.Immunol., 192, 2014
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1W00
 | | Crystal structure of mutant enzyme D103L of Ketosteroid Isomerase from Pseudomonas putida biotype B | | 分子名称: | STEROID DELTA-ISOMERASE | | 著者 | Kim, D.H, Jang, D.S, Nam, G.H, Oh, B.H, Choi, K.Y. | | 登録日 | 2004-05-30 | | 公開日 | 2005-05-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Structural Double-Mutant Cycle Analysis of a Hydrogen Bond Network in Ketosteroid Isomerase from Pseudomonas Putida Biotype B
Biochem.J., 382, 2004
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7UI0
 | | Post-fusion ectodomain of HSV-1 gB in complex with HSV010-13 Fab | | 分子名称: | Envelope glycoprotein B, HSV10-13 Fab Heavy chain, HSV10-13 Light chain | | 著者 | Windsor, I.W, Kong, S.L, Garforth, S.J, Almo, S.C, Harrison, S.C. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-02-15 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | A non-neutralizing glycoprotein B monoclonal antibody protects against herpes simplex virus disease in mice.
J.Clin.Invest., 133, 2023
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7UHZ
 | | Post-fusion ectodomain of HSV-1 gB in complex with BMPC-23 Fab | | 分子名称: | BMPC-23 Fab Heavy chain, BMPC-23 Fab Light chain, Envelope glycoprotein B | | 著者 | Windsor, I.W, Kong, S.L, Garforth, S.J, Almo, S.C, Harrison, S.C. | | 登録日 | 2022-03-28 | | 公開日 | 2023-02-08 | | 最終更新日 | 2023-02-15 | | 実験手法 | ELECTRON MICROSCOPY (3.3 Å) | | 主引用文献 | A non-neutralizing glycoprotein B monoclonal antibody protects against herpes simplex virus disease in mice.
J.Clin.Invest., 133, 2023
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7UMX
 | | Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | | 分子名称: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hajian, B. | | 登録日 | 2022-04-08 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.39 Å) | | 主引用文献 | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
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7UMY
 | | Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide) | | 分子名称: | (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | 著者 | Hajian, B. | | 登録日 | 2022-04-08 | | 公開日 | 2023-02-15 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | | 主引用文献 | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
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7UYO
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7UYN
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7UYP
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4LVB
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | 分子名称: | 1,2-ETHANEDIOL, N-[4-(acetylamino)phenyl]cyclopropanecarboxamide, Nicotinamide phosphoribosyltransferase, ... | | 著者 | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | 登録日 | 2013-07-26 | | 公開日 | 2013-09-25 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (1.836 Å) | | 主引用文献 | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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5TY6
 | | Crystal structure of the broadly neutralizing Influenza A antibody VRC 315 13-1b02 Fab. | | 分子名称: | GLYCEROL, VRC 315 13-1b02 Fab Heavy chain, VRC 315 13-1b02 Fab Light chain | | 著者 | Joyce, M.G, Andrews, S.F, Mascola, J.R, McDermott, A.B, Kwong, P.D. | | 登録日 | 2016-11-18 | | 公開日 | 2017-10-25 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.361 Å) | | 主引用文献 | Preferential induction of cross-group influenza A hemagglutinin stem-specific memory B cells after H7N9 immunization in humans.
Sci Immunol, 2, 2017
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5TU7
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4M0F
 | | Structure of human acetylcholinesterase in complex with territrem B | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | 著者 | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | 登録日 | 2013-08-01 | | 公開日 | 2013-10-16 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (2.304 Å) | | 主引用文献 | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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4MI1
 | | Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates | | 分子名称: | 5'-O-(L-alpha-aspartylsulfamoyl)adenosine, Microcin immunity protein MccF, SULFATE ION | | 著者 | Nocek, B, Severinov, K, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | 登録日 | 2013-08-30 | | 公開日 | 2014-04-23 | | 最終更新日 | 2023-12-06 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | Crystal structure of the double mutant (S112A, H303A) of B.anthracis mycrocine immunity protein (MccF) with aspartyl sulfamoyl adenylates
TO BE PUBLISHED
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7KWA
 | | Structure of DCN1 bound to N-((4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide | | 分子名称: | Endolysin,DCN1-like protein 1, N-[(4S,5S)-3-(aminomethyl)-7-ethyl-4-(4-fluorophenyl)-6-oxo-1-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide | | 著者 | Kim, H.S, Hammill, J.T, Schulman, B.A, Guy, R.K, Scott, D.C. | | 登録日 | 2020-11-30 | | 公開日 | 2021-07-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.572 Å) | | 主引用文献 | Improvement of Oral Bioavailability of Pyrazolo-Pyridone Inhibitors of the Interaction of DCN1/2 and UBE2M.
J.Med.Chem., 64, 2021
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4DBN
 | | Crystal Structure of the Kinase domain of Human B-raf with a [1,3]thiazolo[5,4-b]pyridine derivative | | 分子名称: | 2-chloro-3-(1-cyanocyclopropyl)-N-[5-({2-[(cyclopropylcarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}oxy)-2-fluorophenyl]benzamide, Serine/threonine-protein kinase B-raf | | 著者 | Yano, J.K, Aertgeerts, K. | | 登録日 | 2012-01-16 | | 公開日 | 2012-04-11 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.15 Å) | | 主引用文献 | Design and synthesis of novel DFG-out RAF/vascular endothelial growth factor receptor 2 (VEGFR2) inhibitors. 1. Exploration of [5,6]-fused bicyclic scaffolds.
J.Med.Chem., 55, 2012
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6M95
 | | Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1 | | 分子名称: | (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14 | | 著者 | Lane, W, Okada, K. | | 登録日 | 2018-08-22 | | 公開日 | 2019-04-17 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
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5DD0
 | | Crystal structures in an anti-HIV antibody lineage from immunization of Rhesus macaques | | 分子名称: | ANTI-HIV ANTIBODY DH570 FAB HEAVY CHAIN, ANTI-HIV ANTIBODY DH570 FAB HEAVY LIGHT, oligo peptide | | 著者 | Zhang, R, Verkoczy, L, Wiehe, K, Alam, S.M, Nicely, N.I, Santra, S, Bradley, T, Pemble, C, Gao, F, Montefiori, D.C, Bouton-Verville, H, Kelsoe, G, Parks, R, Foulger, A, Tomaras, G, Keple, T.B, Moody, M.A, Liao, H.-X, Haynes, B.F. | | 登録日 | 2015-08-24 | | 公開日 | 2016-05-11 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (2.488 Å) | | 主引用文献 | Initiation of immune tolerance-controlled HIV gp41 neutralizing B cell lineages.
Sci Transl Med, 8, 2016
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5TR8
 | | Crystal structure of vaccine-elicited pan- influenza H1N1 neutralizing murine antibody 441D6. | | 分子名称: | 441D6 Fab Heavy chain, 441D6 Fab Light chain, NICKEL (II) ION | | 著者 | Joyce, M.G, Kanekiyo, M, Mascola, J.R, Graham, B.S, Kwong, P.D. | | 登録日 | 2016-10-25 | | 公開日 | 2018-05-09 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Mosaic nanoparticle display of diverse influenza virus hemagglutinins elicits broad B cell responses.
Nat.Immunol., 20, 2019
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6BH1
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR (S)-2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N52) | | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.932 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BGV
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(piperidin-1-yl)ethoxy)methyl)-1l2-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N40) | | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[2-(piperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, DIMETHYL SULFOXIDE, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.592 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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6BH5
 | | LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(3-(piperidin-1-yl)propoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid (Compound N48) | | 分子名称: | 1,2-ETHANEDIOL, 2-{(S)-(2-chlorophenyl)[3-(piperidin-1-yl)propoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid, GLYCEROL, ... | | 著者 | Horton, J.R, Cheng, X. | | 登録日 | 2017-10-29 | | 公開日 | 2018-03-28 | | 最終更新日 | 2023-10-04 | | 実験手法 | X-RAY DIFFRACTION (1.651 Å) | | 主引用文献 | Insights into the Action of Inhibitor Enantiomers against Histone Lysine Demethylase 5A.
J. Med. Chem., 61, 2018
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3KQ4
 | | Structure of Intrinsic Factor-Cobalamin bound to its receptor Cubilin | | 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 | Andersen, C.B.F, Madsen, M, Moestrup, S.K, Andersen, G.R. | | 登録日 | 2009-11-17 | | 公開日 | 2010-03-09 | | 最終更新日 | 2020-07-29 | | 実験手法 | X-RAY DIFFRACTION (3.3 Å) | | 主引用文献 | Structural basis for receptor recognition of vitamin-B(12)-intrinsic factor complexes.
Nature, 464, 2010
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3KPR
 | | Crystal Structure of the LC13 TCR in complex with HLA B*4405 bound to EEYLKAWTF a mimotope | | 分子名称: | Beta-2-microglobulin, EEYLKAWTF, mimotope peptide, ... | | 著者 | Macdonald, W.A, Chen, Z, Gras, S, Archbold, J.K, Tynan, F.E, Clements, C.S, Bharadwaj, M, Kjer-Nielsen, L, Saunders, P.M, Wilce, M.C, Crawford, F, Stadinsky, B, Jackson, D, Brooks, A.G, Purcell, A.W, Kappler, J.W, Burrows, S.R, Rossjohn, J, McCluskey, J. | | 登録日 | 2009-11-16 | | 公開日 | 2009-12-22 | | 最終更新日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (2.6 Å) | | 主引用文献 | T cell allorecognition via molecular mimicry.
Immunity, 31, 2009
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