6YKX
 
 | | Neisseria gonorrhoeae Leucyl-tRNA Synthetase in Complex with Compound 11j | | 分子名称: | 1,2-ETHANEDIOL, Leucine--tRNA ligase, MAGNESIUM ION, ... | | 著者 | Pang, L, Strelkov, S.V, Weeks, S.D. | | 登録日 | 2020-04-06 | | 公開日 | 2020-12-02 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.41 Å) | | 主引用文献 | Synthesis and structure-activity studies of novel anhydrohexitol-based Leucyl-tRNA synthetase inhibitors.
Eur.J.Med.Chem., 211, 2021
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6DVB
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF sigma factor L) containing 5nt RNA with 5nt spacer | | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*TP*CP*GP*AP*GP*G)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*CP*AP*GP*TP*AP*GP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | 登録日 | 2018-06-23 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (3.8 Å) | | 主引用文献 | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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5A0A
 | | Crystal Structure of human neutrophil elastase in complex with a dihydropyrimidone inhibitor | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-[(6R)-5-ethanoyl-4-methyl-2-oxidanylidene-3-[3-(trifluoromethyl)phenyl]-1,6-dihydropyrimidin-6-yl]pyridine-2-carbonitrile, ... | | 著者 | vonNussbaum, F, Li, V.M.-J, Allerheiligen, S, Anlauf, S, Baerfacker, L, Bechem, M, Delbeck, M, Fitzgerald, M.F, Gerisch, M, Gielen-Haertwig, H, Haning, H, Karthaus, D, Lang, D, Lustig, K, Meibom, D, Mittendorf, J, Rosentreter, U, Schaefer, M, Schaefer, S, Schamberger, J, Telan, L.A, Tersteegen, A. | | 登録日 | 2015-04-17 | | 公開日 | 2015-08-19 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (1.78 Å) | | 主引用文献 | Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 85-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases.
ChemMedChem, 10, 2015
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4ITE
 | | Crystal structure of the human vitamin D receptor ligand binding domain complexed with 1alpha,25-Dihydroxy-2alpha-[2-(2H-tetrazol-2-yl)ethyl]vitamin D3 | | 分子名称: | (1R,2S,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methyl-6-oxidanyl-heptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-2-[2-(1,2,3,4-tetrazol-2-yl)ethyl]cyclohexane-1,3-diol, Vitamin D3 receptor | | 著者 | Kakuda, S, Takimoto-Kamimura, M. | | 登録日 | 2013-01-18 | | 公開日 | 2014-01-22 | | 最終更新日 | 2023-11-08 | | 実験手法 | X-RAY DIFFRACTION (2.49 Å) | | 主引用文献 | Synthesis of 2 alpha-heteroarylalkyl active vitamin d3 with therapeutic effect on enhancing bone mineral density in vivo
ACS MED.CHEM.LETT., 4, 2013
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6DQS
 | | Class 3 IP3-bound human type 3 1,4,5-inositol trisphosphate receptor | | 分子名称: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate receptor type 3, ZINC ION | | 著者 | Hite, R.K, Paknejad, N. | | 登録日 | 2018-06-11 | | 公開日 | 2018-08-01 | | 最終更新日 | 2024-12-25 | | 実験手法 | ELECTRON MICROSCOPY (4.12 Å) | | 主引用文献 | Structural basis for the regulation of inositol trisphosphate receptors by Ca2+and IP3.
Nat. Struct. Mol. Biol., 25, 2018
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6VU2
 | | M1214_N1 Fab structure | | 分子名称: | M1214 N1 Fab heavy chain, M1214 N1 Fab light chain | | 著者 | Pan, R, Kong, X. | | 登録日 | 2020-02-14 | | 公開日 | 2020-05-06 | | 最終更新日 | 2024-10-23 | | 実験手法 | X-RAY DIFFRACTION (2.19 Å) | | 主引用文献 | VSV-Displayed HIV-1 Envelope Identifies Broadly Neutralizing Antibodies Class-Switched to IgG and IgA.
Cell Host Microbe, 27, 2020
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4Q7S
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4Q81
 | | Crystal structure of 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione bound to human carbonic anhydrase II | | 分子名称: | 1-hydroxy-4,6-dimethylpyridine-2(1H)-thione, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | 著者 | Martin, D.P, Cohen, S.M. | | 登録日 | 2014-04-25 | | 公開日 | 2015-03-11 | | 最終更新日 | 2023-09-20 | | 実験手法 | X-RAY DIFFRACTION (1.55 Å) | | 主引用文献 | Exploring the influence of the protein environment on metal-binding pharmacophores.
J.Med.Chem., 57, 2014
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7TMC
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4Q8Z
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1ZN9
 | | Human Adenine Phosphoribosyltransferase in Apo and AMP Complexed Forms | | 分子名称: | ADENOSINE MONOPHOSPHATE, Adenine phosphoribosyltransferase | | 著者 | Iulek, J, Silva, M, Tomich, C.H.T.P, Thiemann, O.H. | | 登録日 | 2005-05-11 | | 公開日 | 2006-04-25 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | Structural Complexes of Human Adenine Phosphoribosyltransferase Reveal Novel Features of the APRT Catalytic Mechanism
J.Biomol.Struct.Dyn., 25, 2008
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1ZNO
 | | Crystal Structure of VC702 from Vibrio Cholerae, Northeast Structural Genomics Consortium Target: VcP1 | | 分子名称: | Hypothetical UPF0244 protein VC0702, MAGNESIUM ION | | 著者 | Ni, S, Forouhar, F, Bussiere, D.E, Robinson, H, Kennedy, M.A, Northeast Structural Genomics Consortium (NESG) | | 登録日 | 2005-05-11 | | 公開日 | 2006-07-04 | | 最終更新日 | 2024-11-13 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of VC0702 at 2.0 A: conserved hypothetical protein from Vibrio cholerae.
Proteins, 63, 2006
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6DJG
 | | Crystal structure of Tdp1 catalytic domain in complex with compound XZ503 | | 分子名称: | 1,2-ETHANEDIOL, 4-hydroxy-8-sulfoquinoline-3-carboxylic acid, Tyrosyl-DNA phosphodiesterase 1 | | 著者 | Lountos, G.T, Zhao, X.Z, Kiselev, E, Tropea, J.E, Needle, D, Burke Jr, T.R, Pommier, Y, Waugh, D.S. | | 登録日 | 2018-05-25 | | 公開日 | 2019-05-29 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Identification of a ligand binding hot spot and structural motifs replicating aspects of tyrosyl-DNA phosphodiesterase I (TDP1) phosphoryl recognition by crystallographic fragment cocktail screening.
Nucleic Acids Res., 47, 2019
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6W1P
 | | RT XFEL structure of the one-flash state of Photosystem II (1F, S2-rich) at 2.26 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-11-06 | | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6DVE
 | | Crystal structure of Mycobacterium tuberculosis transcription initiation complex(ECF selenomethionine-labelled sigma factor L) with 6 nt spacer | | 分子名称: | DNA (5'-D(*GP*CP*AP*TP*CP*CP*GP*TP*GP*AP*GP*T)-3'), DNA (5'-D(P*CP*GP*TP*GP*TP*GP*AP*GP*TP*AP*AP*CP*TP*GP*TP*CP*AP*CP*GP*GP*AP*TP*GP*C)-3'), DNA-directed RNA polymerase subunit alpha, ... | | 著者 | Lin, W, Das, K, Feng, Y, Ebright, R.H. | | 登録日 | 2018-06-23 | | 公開日 | 2019-02-20 | | 最終更新日 | 2024-11-20 | | 実験手法 | X-RAY DIFFRACTION (3.812 Å) | | 主引用文献 | Structural basis of ECF-sigma-factor-dependent transcription initiation.
Nat Commun, 10, 2019
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6VZS
 | | Engineered TTLL6 mutant bound to gamma-elongation analog | | 分子名称: | (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid, ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, ... | | 著者 | Mahalingan, K.K, Keenen, E.K, Strickland, M, Li, Y, Liu, Y, Ball, H.L, Tanner, M.E, Tjandra, N, Roll-Mecak, A. | | 登録日 | 2020-02-28 | | 公開日 | 2020-08-12 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (2.66 Å) | | 主引用文献 | Structural basis for polyglutamate chain initiation and elongation by TTLL family enzymes.
Nat.Struct.Mol.Biol., 27, 2020
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6W3N
 | | APE1 exonuclease substrate complex D148E | | 分子名称: | 1,2-ETHANEDIOL, CALCIUM ION, DNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*(C7R))-3'), ... | | 著者 | Freudenthal, B.D, Whitaker, A.M. | | 登録日 | 2020-03-09 | | 公開日 | 2020-06-10 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.69 Å) | | 主引用文献 | Molecular and structural characterization of disease-associated APE1 polymorphisms.
DNA Repair (Amst.), 91-92, 2020
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4QAE
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6W07
 | | Bruton's tyrosine kinase in complex with compound 1 | | 分子名称: | DIMETHYL SULFOXIDE, Tyrosine-protein kinase BTK, ~{N}-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxy-azetidine-1-carboxamide | | 著者 | Metrick, C.M, Marcotte, D.J. | | 登録日 | 2020-02-29 | | 公開日 | 2020-12-16 | | 最終更新日 | 2023-10-11 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Discovery of BIIB068: A Selective, Potent, Reversible Bruton's Tyrosine Kinase Inhibitor as an Orally Efficacious Agent for Autoimmune Diseases.
J.Med.Chem., 63, 2020
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6DMO
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6W1R
 | | RT XFEL structure of Photosystem II 150 microseconds after the second illumination at 2.23 Angstrom resolution | | 分子名称: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | | 著者 | Ibrahim, M, Fransson, T, Chatterjee, R, Cheah, M.H, Hussein, R, Lassalle, L, Sutherlin, K.D, Young, I.D, Fuller, F.D, Gul, S, Kim, I.-S, Simon, P.S, de Lichtenberg, C, Chernev, P, Bogacz, I, Pham, C, Orville, A.M, Saichek, N, Northen, T.R, Batyuk, A, Carbajo, S, Alonso-Mori, R, Tono, K, Owada, S, Bhowmick, A, Bolotovski, R, Mendez, D, Moriarty, N.W, Holton, J.M, Dobbek, H, Brewster, A.S, Adams, P.D, Sauter, N.K, Bergmann, U, Zouni, A, Messinger, J, Kern, J, Yachandra, V.K, Yano, J. | | 登録日 | 2020-03-04 | | 公開日 | 2020-05-13 | | 最終更新日 | 2024-10-30 | | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | | 主引用文献 | Untangling the sequence of events during the S2→ S3transition in photosystem II and implications for the water oxidation mechanism.
Proc.Natl.Acad.Sci.USA, 117, 2020
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1YWI
 | | Structure of the FBP11WW1 domain complexed to the peptide APPTPPPLPP | | 分子名称: | Formin, Formin-binding protein 3 | | 著者 | Pires, J.R, Parthier, C, Aido-Machado, R, Wiedemann, U, Otte, L, Boehm, G, Rudolph, R, Oschkinat, H. | | 登録日 | 2005-02-18 | | 公開日 | 2005-04-12 | | 最終更新日 | 2024-05-29 | | 実験手法 | SOLUTION NMR | | 主引用文献 | Structural basis for APPTPPPLPP peptide recognition by the FBP11WW1 domain.
J.Mol.Biol., 348, 2005
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4QEF
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6W9W
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6WA8
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