PDB: 222415 件ウェブページステータス検索Chemie searchBIRD

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6Z4N	CRYSTAL STRUCTURE OF OASS COMPLEXED WITH UPAR INHIBITOR 分子名称: (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid, COBALT (II) ION, Cysteine synthase A, ... 著者 Demitri, N, Storici, P, Campanini, B. 登録日 2020-05-25 公開日 2021-04-07 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.2 Å) 主引用文献 Investigational Studies on a Hit Compound Cyclopropane-Carboxylic Acid Derivative Targeting O -Acetylserine Sulfhydrylase as a Colistin Adjuvant. Acs Infect Dis., 7, 2021
7RS0	Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with DMERI-18 分子名称: (1R,2S,4R,5R,6R)-5-(4-hydroxyphenyl)-N-(4-methoxyphenyl)-6-(4-propoxyphenyl)-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide, Estrogen receptor 著者 Min, J, Nwachukwu, J.C, Min, C.K, Njeri, J.W, Srinivasan, S, Rangarajan, E.S, Nettles, C.C, Yan, S, Houtman, R, Griffin, P.R, Izard, T, Katzenellenbogen, B.S, Katzenellenbogen, J.A, Nettles, K.W. 登録日 2021-08-10 公開日 2021-09-08 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Dual-mechanism estrogen receptor inhibitors. Proc.Natl.Acad.Sci.USA, 118, 2021
6ZEZ	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction 分子名称: 1-[3-[(1~{R},3~{S})-3-[(2~{S})-2-butylpyrrolidin-1-yl]carbonylcyclohexyl]phenyl]-5-cyclopropyl-pyrazole-4-carboxylic acid, Kelch-like ECH-associated protein 1 著者 Narayanan, D, Bach, A, Gajhede, M. 登録日 2020-06-16 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.55 Å) 主引用文献 Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
2XEB	NMR STRUCTURE OF THE PROTEIN-UNBOUND SPLICEOSOMAL U4 SNRNA 5' STEM LOOP 分子名称: 5'-R(P*GP*AP*UP*CP*GP*UP*AP*GP*CP*CP*AP*AP*UP*GP*AP* GP*GP*UP*U)-3', 5'-R(P*GP*CP*CP*GP*AP*GP*GP*CP*GP*CP*GP*AP*UP*C)-3' 著者 Falb, M, Amata, I, Gabel, F, Simon, B, Carlomagno, T. 登録日 2010-05-12 公開日 2010-05-26 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Structure of the K-turn U4 RNA: a combined NMR and SANS study. Nucleic Acids Res., 38, 2010
6ZF8	Keap1 kelch domain bound to a small molecule inhibitor of the Keap1-Nrf2 protein-protein interaction 分子名称: 1-[3-[2-hydroxy-2-oxoethyl-(3-methoxyphenyl)sulfonyl-amino]phenyl]-5-[(1~{S},2~{S})-2-phenylcyclopropyl]pyrazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Kelch-like ECH-associated protein 1, ... 著者 Narayanan, D, Bach, A, Gajhede, M. 登録日 2020-06-16 公開日 2021-04-14 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds. J.Med.Chem., 64, 2021
4FH5	Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity - MgUTP bound 分子名称: MAGNESIUM ION, Poly(A) RNA polymerase protein cid1, URIDINE 5'-TRIPHOSPHATE 著者 Lunde, B.M, Magler, I, Meinhart, A. 登録日 2012-06-05 公開日 2012-08-29 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Crystal structures of the Cid1 poly (U) polymerase reveal the mechanism for UTP selectivity. Nucleic Acids Res., 40, 2012
2YA5	Crystal structure of Streptococcus pneumoniae NanA (TIGR4) in complex with sialic acid 分子名称: CHLORIDE ION, FORMIC ACID, N-acetyl-alpha-neuraminic acid, ... 著者 Gut, H, Xu, G, Taylor, G.L, Walsh, M.A. 登録日 2011-02-18 公開日 2011-04-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Structural Basis for Streptococcus Pneumoniae Nana Inhibition by Influenza Antivirals Zanamivir and Oseltamivir Carboxylate. J.Mol.Biol., 409, 2011
6DA5	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I.F. 登録日 2018-05-01 公開日 2019-04-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
6DAG	Human CYP3A4 bound to an inhibitor 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate 著者 Sevrioukova, I.F. 登録日 2018-05-01 公開日 2019-04-03 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
8TLN	STRUCTURAL COMPARISON SUGGESTS THAT THERMOLYSIN AND RELATED NEUTRAL PROTEASES UNDERGO HINGE-BENDING MOTION DURING CATALYSIS 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, LYSINE, ... 著者 Tronrud, D, Matthews, B.W. 登録日 1993-09-01 公開日 1994-04-30 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural comparison suggests that thermolysin and related neutral proteases undergo hinge-bending motion during catalysis. Biochemistry, 31, 1992
5DO4	Thrombin-RNA aptamer complex 分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Pallan, P.S, Egli, M. 登録日 2015-09-10 公開日 2016-09-14 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.859 Å) 主引用文献 Evoking picomolar binding in RNA by a single phosphorodithioate linkage. Nucleic Acids Res., 44, 2016
8SXO	Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant 分子名称: 3C-like proteinase nsp5 著者 Kohaal, N, Lewandowski, E.M, Wang, J, Chen, Y. 登録日 2023-05-23 公開日 2023-06-14 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.76 Å) 主引用文献 Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H164I Mutant To Be Published
2YFU	CBM62 FROM CLOSTRIDIUM THERMOCELLUM XYL5A 分子名称: CALCIUM ION, CARBOHYDRATE BINDING FAMILY 6, GLYCEROL 著者 Montanier, C.Y, Correia, M.A.S, Flint, J.E, Zhu, Y, Basle, A, Mckee, L.S, Prates, J.A.M, Polizzi, S.J, Coutinho, P.M, Henrissat, B, Fontes, C.M.G.A, Gilbert, H.J. 登録日 2011-04-08 公開日 2011-05-18 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 A Novel, Noncatalytic Carbohydrate-Binding Module Displays Specificity for Galactose-Containing Polysaccharides Through Calcium-Mediated Oligomerization. J.Biol.Chem., 286, 2011
6D5B	Structure of Caldicellulosiruptor danielii CBM3 module of glycoside hydrolase WP_045175321 分子名称: CALCIUM ION, glycoside hydrolase WP_045175321 著者 Alahuhta, P.M, Lunin, V.V. 登録日 2018-04-19 公開日 2019-04-24 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Novel multidomain, multifunctional glycoside hydrolases from highly lignocellulolytic Caldicellulosiruptor species AIChE J., 2019
8SW0	Puromycin sensitive aminopeptidase 分子名称: 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Puromycin-sensitive aminopeptidase, ... 著者 Rodgers, D.W, Sampath, S. 登録日 2023-05-17 公開日 2023-07-26 最終更新日 2024-05-22 実験手法 X-RAY DIFFRACTION (2.301 Å) 主引用文献 Structure of puromycin-sensitive aminopeptidase and polyglutamine binding. Plos One, 18, 2023
6L9C	Neutron structure of copper amine oxidase from Arthrobacter glibiformis at pD 7.4 分子名称: COPPER (II) ION, Phenylethylamine oxidase, SODIUM ION 著者 Murakawa, T, Kurihara, K, Shoji, M, Shibazaki, C, Sunami, T, Tamada, T, Yano, N, Yamada, T, Kusaka, K, Suzuki, M, Shigeta, Y, Kuroki, R, Hayashi, H, Yano, Y, Tanizawa, K, Adachi, M, Okajima, T. 登録日 2019-11-08 公開日 2020-04-29 最終更新日 2023-11-22 実験手法 NEUTRON DIFFRACTION (1.14 Å), X-RAY DIFFRACTION 主引用文献 Neutron crystallography of copper amine oxidase reveals keto/enolate interconversion of the quinone cofactor and unusual proton sharing. Proc.Natl.Acad.Sci.USA, 117, 2020
6D54	Low Temperature joint X-ray/neutron structure of DNA oligonucleotide d(GTGGCCAC)2 with 2'-SeCH3 modification on Cyt5 分子名称: DNA (5'-D(*GP*TP*GP*GP*(CSL)P*CP*AP*C)-3'), MAGNESIUM ION 著者 Kovalevsky, A, Huang, Z, Vandavasi, V.G. 登録日 2018-04-19 公開日 2018-10-17 最終更新日 2023-10-04 実験手法 NEUTRON DIFFRACTION (1.65 Å), X-RAY DIFFRACTION 主引用文献 Temperature-Induced Replacement of Phosphate Proton with Metal Ion Captured in Neutron Structures of A-DNA. Structure, 26, 2018
6QXA	Structure of membrane bound pyrophosphatase from Thermotoga maritima in complex with imidodiphosphate and N-[(2-amino-6-benzothiazolyl)methyl]-1H-indole-2-carboxamide (ATC) 分子名称: (4S,5S)-1,2-DITHIANE-4,5-DIOL, IMIDODIPHOSPHORIC ACID, K(+)-stimulated pyrophosphate-energized sodium pump, ... 著者 Vidilaseris, K, Goldman, A. 登録日 2019-03-07 公開日 2019-04-10 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (3.41 Å) 主引用文献 Asymmetry in catalysis byThermotoga maritimamembrane-bound pyrophosphatase demonstrated by a nonphosphorus allosteric inhibitor. Sci Adv, 5, 2019
6DEC	Crystal structure of Bos taurus Arp2/3 complex binding with C-terminus of Homo sapiens SPIN90 分子名称: ADENOSINE-5'-TRIPHOSPHATE, Actin-related protein 2, Actin-related protein 2/3 complex subunit 1B, ... 著者 Nolen, B.J, Luan, Q. 登録日 2018-05-11 公開日 2018-10-24 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (4.6 Å) 主引用文献 Structure of the nucleation-promoting factor SPIN90 bound to the actin filament nucleator Arp2/3 complex. EMBO J., 37, 2018
6L1A	Crystal Structure of P450BM3 with N-enanthoyl-L-prolyl-L-phenylalanine 分子名称: (2S)-2-[[(2S)-1-heptanoylpyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, DIMETHYL SULFOXIDE, ... 著者 Shoji, O, Yonemura, K. 登録日 2019-09-28 公開日 2020-09-30 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (1.84 Å) 主引用文献 Systematic Evolution of Decoy Molecules for the Highly Efficient Hydroxylation of Benzene and Small Alkanes Catalyzed by Wild-Type Cytochrome P450BM3 Acs Catalysis, 10, 2020
1MCT	THE REFINED 1.6 ANGSTROMS RESOLUTION CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN PORCINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY 分子名称: BETA-TRYPSIN, CALCIUM ION, TRYPSIN INHIBITOR A 著者 Huang, Q, Liu, S, Tang, Y. 登録日 1992-10-24 公開日 1994-01-31 最終更新日 2011-07-13 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Refined 1.6 A resolution crystal structure of the complex formed between porcine beta-trypsin and MCTI-A, a trypsin inhibitor of the squash family. Detailed comparison with bovine beta-trypsin and its complex. J.Mol.Biol., 229, 1993
6QD8	EM structure of a EBOV-GP bound to 4M0368 neutralizing antibody 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Envelope glycoprotein, Envelope glycoprotein,Virion spike glycoprotein,EBOV-GP1, ... 著者 Diskin, R, Cohen-Dvashi, H. 登録日 2019-01-01 公開日 2019-10-02 最終更新日 2020-07-29 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 rVSV-ZEBOV induces a polyclonal and convergent B cell response with potent Ebola virus-neutralizing antibodies Nat.Med. (N.Y.), 2019
6DC6	Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin 分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, Ubiquitin, ... 著者 Lv, Z, Yuan, L, Williams, K.M, Atkison, J.H, Olsen, S.K. 登録日 2018-05-04 公開日 2018-10-10 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (3.14 Å) 主引用文献 Crystal structure of a human ubiquitin E1-ubiquitin complex reveals conserved functional elements essential for activity. J. Biol. Chem., 293, 2018
4FCI	Crystal Structure of the Mn2+2-Human Arginase I-AGPA Complex 分子名称: 2-AMINO-3-GUANIDINO-PROPIONIC ACID, Arginase-1, MANGANESE (II) ION 著者 D'Antonio, E.L, Christianson, D.W. 登録日 2012-05-25 公開日 2012-06-20 最終更新日 2023-09-13 実験手法 X-RAY DIFFRACTION (1.82 Å) 主引用文献 Binding of the unreactive substrate analog L-2-amino-3-guanidinopropionic acid (dinor-L-arginine) to human arginase I. Acta Crystallogr.,Sect.F, 68, 2012
6DAV	Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate 分子名称: 1,2-ETHANEDIOL, Dihydrofolate reductase, N-(4-{[(2,4-diaminopteridin-6-yl)methyl](hydroxymethyl)amino}benzene-1-carbonyl)-L-glutamic acid, ... 著者 Mayclin, S.J, Dranow, D.M, Lorimer, D.D. 登録日 2018-05-02 公開日 2018-05-16 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal Structure of Human DHFR complexed with NADP and N10formyltetrahydrofolate to be published

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