PDB: 243083 件ウェブページステータス検索Chemie searchBIRD

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1MSS	LARGE SCALE STRUCTURAL REARRANGEMENTS OF THE FRONT LOOPS IN MONOMERISED TRIOSEPHOSPHATE ISOMERASE, AS DEDUCED FROM THE COMPARISON OF THE STRUCTURAL PROPERTIES OF MONOTIM AND ITS POINT MUTATION VARIANT MONOSS 分子名称: TRIOSEPHOSPHATE ISOMERASE 著者 Radha Kishan, K.V, Wierenga, R.K. 登録日 1994-07-27 公開日 1994-09-30 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Three new crystal structures of point mutation variants of monoTIM: conformational flexibility of loop-1, loop-4 and loop-8. Structure, 3, 1995
5F2G	Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes Glu164Gln mutant in complex with FBP 分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-D-fructose, CALCIUM ION, ... 著者 LowKam, C. 登録日 2015-12-01 公開日 2016-12-07 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (1.918 Å) 主引用文献 NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE To Be Published
5F4W	Tagatose-1,6-bisphosphate aldolase from Streptococcus pyogenes in complex with TBP 分子名称: 1,3-DIHYDROXYACETONEPHOSPHATE, 1,6-di-O-phosphono-D-tagatose, CALCIUM ION, ... 著者 LowKam, C. 登録日 2015-12-03 公開日 2017-02-01 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.663 Å) 主引用文献 NON-STEREOSPECIFIC SUBSTRATE CLEAVAGE BY TAGATOSE-BISPHOSPHATE CLASS I ALDOLASE To Be Published
7C9N	Crystal structure of SETDB1 tudor domain in complexed with Compound 1. 分子名称: 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one, Histone-lysine N-methyltransferase SETDB1 著者 Guo, Y, Xiong, L, Mao, X, Yang, S. 登録日 2020-06-06 公開日 2021-04-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.472 Å) 主引用文献 Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60, 2021
1U8Q	Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELEKWAS 分子名称: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE 著者 Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. 登録日 2004-08-06 公開日 2004-10-05 最終更新日 2024-11-13 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications J.Virol., 83, 2009
1U93	Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide Analog EQDKW-[Dap]-S (cyclic) 分子名称: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE ANALOG 著者 Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. 登録日 2004-08-09 公開日 2004-10-05 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2.37 Å) 主引用文献 Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications J.Virol., 83, 2009
5V8Q	Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs): Part III 分子名称: 4-[(2S,3S)-2-ethyl-3-hydroxy-5-oxopyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile, Androgen receptor, GLYCEROL 著者 Wilson, K.P. 登録日 2017-03-22 公開日 2017-05-24 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Synthesis and biological evaluation of novel selective androgen receptor modulators (SARMs) Part III: Discovery of 4-(5-oxopyrrolidine-1-yl)benzonitrile derivative 2f as a clinical candidate. Bioorg. Med. Chem., 25, 2017
5FEQ	EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE 分子名称: Epidermal growth factor receptor, ~{N}-[1-[(3~{R})-1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl]-7-methyl-benzimidazol-2-yl]-2-methyl-pyridine-4-carboxamide 著者 DiDonato, M, Spraggon, G. 登録日 2015-12-17 公開日 2016-07-27 最終更新日 2024-12-25 実験手法 X-RAY DIFFRACTION (3.4 Å) 主引用文献 Discovery of (R,E)-N-(7-Chloro-1-(1-[4-(dimethylamino)but-2-enoyl]azepan-3-yl)-1H-benzo[d]imidazol-2-yl)-2-methylisonicotinamide (EGF816), a Novel, Potent, and WT Sparing Covalent Inhibitor of Oncogenic (L858R, ex19del) and Resistant (T790M) EGFR Mutants for the Treatment of EGFR Mutant Non-Small-Cell Lung Cancers. J.Med.Chem., 59, 2016
2RLH	NMR structure of the antimicrobial peptide RP-1 bound to DPC micelles 分子名称: antimicrobial peptide RP-1 著者 Bourbigot, S, Dodd, E, Horwood, C, Booth, V. 登録日 2007-07-07 公開日 2008-07-08 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Antimicrobial peptide RP-1 structure and interactions with anionic versus zwitterionic micelles. Biopolymers, 91, 2009
5FB8	Structure of Interleukin-16 bound to the 14.1 antibody 分子名称: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-IL-16 antibody 14.1 Fab domain Heavy Chain, ... 著者 Hall, G, Cowan, R, Bayliss, R, Carr, M. 登録日 2015-12-14 公開日 2016-06-08 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (2.07 Å) 主引用文献 Structure of a Potential Therapeutic Antibody Bound to Interleukin-16 (IL-16): MECHANISTIC INSIGHTS AND NEW THERAPEUTIC OPPORTUNITIES. J.Biol.Chem., 291, 2016
1U8I	Crystal structure of the HIV-1 Cross Neutralizing Monoclonal Antibody 2F5 in complex with gp41 Peptide ELDKWAN 分子名称: ANTIBODY 2F5 (HEAVY CHAIN), ANTIBODY 2F5 (LIGHT CHAIN), GP41 PEPTIDE 著者 Bryson, S, Julien, J.-P, Hynes, R.C, Pai, E.F. 登録日 2004-08-06 公開日 2004-10-05 最終更新日 2024-10-23 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Crystallographic definition of the epitope promiscuity of the broadly neutralizing anti-human immunodeficiency virus type 1 antibody 2F5: vaccine design implications J.Virol., 83, 2009
1M13	Crystal Structure of the Human Pregane X Receptor Ligand Binding Domain in Complex with Hyperforin, a Constituent of St. John's Wort 分子名称: 4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE, Orphan Nuclear Receptor PXR 著者 Watkins, R.E, Maglich, J.M, Moore, L.B, Wisely, G.B, Noble, S.M, Davis-Searles, P.R, Lambert, M.H, Kliewer, S.A, Redinbo, M.R. 登録日 2002-06-17 公開日 2003-03-04 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 2.1 A Crystal Structure of Human PXR in Complex with the St. John's Wort Compound Hyperforin Biochemistry, 42, 2003
4OVL	Interrogating HIV integrase for compounds that bind- a SAMPL challenge 分子名称: 1,2-ETHANEDIOL, 3-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]benzoic acid, ACETIC ACID, ... 著者 Peat, T.S. 登録日 2013-11-21 公開日 2014-03-05 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 Interrogating HIV integrase for compounds that bind--a SAMPL challenge. J. Comput. Aided Mol. Des., 28, 2014
4RIO	Crystal structure of JAK3 kinase domain in complex with a pyrrolopyridazine carboxamide inhibitor 分子名称: 4-{[(1R,2S)-2-fluoro-2-methylcyclopentyl]amino}pyrrolo[1,2-b]pyridazine-3-carboxamide, Tyrosine-protein kinase JAK3 著者 Sack, J.S. 登録日 2014-10-07 公開日 2014-12-24 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.69 Å) 主引用文献 Discovery of pyrrolo[1,2-b]pyridazine-3-carboxamides as Janus kinase (JAK) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
1MHP	Crystal structure of a chimeric alpha1 integrin I-domain in complex with the Fab fragment of a humanized neutralizing antibody 分子名称: FAB FRAGMENT, light chain, Fab fragment, ... 著者 Karpusas, M, Taylor, F, Ferrant, J, Weinreb, P, Garber, E. 登録日 2002-08-20 公開日 2003-04-15 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Crystal Structure of the alpha 1 beta 1 Integrin I Domain in Complex with an Antibody Fab Fragment J.Mol.Biol., 327, 2003
4CDM	Crystal structure of M. mazei photolyase soaked with synthetic 8-HDF 分子名称: 1-deoxy-1-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-D-ribitol, DEOXYRIBODIPYRIMIDINE PHOTOLYASE, FLAVIN-ADENINE DINUCLEOTIDE, ... 著者 Kiontke, S, Batschauer, A, Essen, L.-O. 登録日 2013-11-01 公開日 2014-05-21 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural and Evolutionary Aspects of Antenna Chromophore Usage by Class II Photolyases. J.Biol.Chem., 289, 2014
3TUX	Crystal structure of RtcA.ATP.Mn ternary complex 分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, ... 著者 Chakravarty, A.K, Smith, P, Shuman, S. 登録日 2011-09-19 公開日 2011-12-28 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Structures of RNA 3'-phosphate cyclase bound to ATP reveal the mechanism of nucleotidyl transfer and metal-assisted catalysis. Proc.Natl.Acad.Sci.USA, 108, 2011
7KR3	Human DNA Ligase 1(E346A/E592A) Bound to a bulged DNA substrate 分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*AP*TP*GP*TP*CP*TP*GP*CP*CP*CP*C)-3'), ... 著者 Tumbale, P.P, Williams, R.S. 登録日 2020-11-18 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.778 Å) 主引用文献 High-fidelity DNA ligation enforces accurate Okazaki fragment maturation during DNA replication. Nat Commun, 12, 2021
2R1M	OpdA from Agrobacterium radiobacter with bound product diethyl phosphate from crystal soaking with diethyl 4-methoxyphenyl phosphate (450h)- 2.5 A 分子名称: 1,2-ETHANEDIOL, COBALT (II) ION, DIETHYL HYDROGEN PHOSPHATE, ... 著者 Ollis, D.L, Jackson, C.J, Foo, J.L, Kim, H.K, Carr, P.D, Liu, J.W, Salem, G. 登録日 2007-08-23 公開日 2008-02-12 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 In crystallo capture of a Michaelis complex and product-binding modes of a bacterial phosphotriesterase J.Mol.Biol., 375, 2008
4MTI	Crystal structure of cIAP1 BIR3 bound to T3258042 分子名称: (3S,8aR)-2-[(2S)-2-cyclohexyl-2-{[(2S)-2-(methylamino)butanoyl]amino}acetyl]-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]octahydropyrrolo[1,2-a]pyrazine-3-carboxamide, Baculoviral IAP repeat-containing protein 2, ZINC ION 著者 Snell, G.P, Dougan, D.R. 登録日 2013-09-19 公開日 2013-12-11 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Design, synthesis, and biological activities of novel hexahydropyrazino[1,2-a]indole derivatives as potent inhibitors of apoptosis (IAP) proteins antagonists with improved membrane permeability across MDR1 expressing cells. Bioorg.Med.Chem., 21, 2013
4TM7	Crystal structure of 6-phosphogluconolactonase from Mycobacterium smegmatis N131D mutant soaked with CuSO4 分子名称: 1,2-ETHANEDIOL, 6-phosphogluconolactonase, CHLORIDE ION, ... 著者 Fujieda, N, Stuttfeld, E, Maier, T. 登録日 2014-05-31 公開日 2015-06-03 最終更新日 2024-03-20 実験手法 X-RAY DIFFRACTION (1.39 Å) 主引用文献 Enzyme repurposing of a hydrolase as an emergent peroxidase upon metal binding. Chem Sci, 6, 2015
7KR4	Human DNA Ligase 1(E346A/E592A) Bound to a nicked DNA substrate control duplex 分子名称: ACETATE ION, ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*AP*TP*GP*TP*CP*TP*GP*CP*CP*C)-3'), ... 著者 Tumbale, P.P, Williams, R.S. 登録日 2020-11-18 公開日 2021-02-03 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 High-fidelity DNA ligation enforces accurate Okazaki fragment maturation during DNA replication. Nat Commun, 12, 2021
7DU1	Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid 分子名称: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Yan, Y.-H, Li, G.-B. 登録日 2021-01-07 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUE	Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid 分子名称: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-08 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
4OGG	Crystal Structure of Arabidopsis thaliana DJ-1d with glyoxylate as substrate analog 分子名称: Protein DJ-1 homolog D 著者 Choi, D, Kim, J, Ryu, K.-S, Park, C. 登録日 2014-01-16 公開日 2014-10-15 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Stereospecific mechanism of DJ-1 glyoxalases inferred from their hemithioacetal-containing crystal structures. Febs J., 281, 2014

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