8E65
 
 | | Crystal structure of SARS-CoV-2 3CL protease in complex with a p-chlorodimethyl oxybenzene inhibitor | | 分子名称: | (1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase | | 著者 | Lovell, S, Liu, L, Battaile, K.P, Miller, M.J, Groutas, W.C. | | 登録日 | 2022-08-22 | | 公開日 | 2022-09-14 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Structure-guided design of direct-acting antivirals that exploit the gem-dimethyl effect and potently inhibit 3CL proteases of severe acute respiratory syndrome Coronavirus-2 (SARS-CoV-2) and middle east respiratory syndrome coronavirus (MERS-CoV).
Eur.J.Med.Chem., 254, 2023
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2P6B
 | | Crystal Structure of Human Calcineurin in Complex with PVIVIT Peptide | | 分子名称: | CALCIUM ION, Calcineurin subunit B isoform 1, Calmodulin-dependent calcineurin A subunit alpha isoform, ... | | 著者 | Li, H, Zhang, L, Rao, A, Harrison, S.C, Hogan, P.G. | | 登録日 | 2007-03-16 | | 公開日 | 2007-06-05 | | 最終更新日 | 2023-08-30 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structure of calcineurin in complex with PVIVIT peptide: Portrait of a low-affinity signalling interaction
J.Mol.Biol., 369, 2007
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7RI2
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8E21
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034 | | 分子名称: | 5-hydroxy-6-oxo-N-[2-(pyridin-4-yl)ethyl]-2-{[2-(trifluoromethyl)phenyl]methyl}-3,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | 登録日 | 2022-08-12 | | 公開日 | 2022-09-14 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.61 Å) | | 主引用文献 | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023034
To Be Published
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7RC4
 | | Aeronamide N-methyltransferase, AerE (D141A) | | 分子名称: | CALCIUM ION, HEXAETHYLENE GLYCOL, Methyltransferase family protein, ... | | 著者 | Cogan, D.P, Reyes, R, Nair, S.K. | | 登録日 | 2021-07-07 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.66 Å) | | 主引用文献 | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6JNH
 | | Crystal structure of the complex of Phosphopantetheine adenylyltransferasefrom Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution | | 分子名称: | ASCORBIC ACID, Phosphopantetheine adenylyltransferase, SODIUM ION, ... | | 著者 | Iqbal, N, Gupta, A, Sharm, P, Singh, T.P. | | 登録日 | 2019-03-14 | | 公開日 | 2019-03-27 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Crystal structure of the complex of Phosphopantetheine adenylyltransferase from Acinetobacter baumannii with Ascorbic acid (Vitamin-C) at 2.0A resolution
To Be Published
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7RC6
 | | Aeronamide N-methyltransferase, AerE, bound to modified peptide substrate, AerA-DL,34 | | 分子名称: | Aeronamide A peptide, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Cogan, D.P, Reyes, R, Nair, S.K. | | 登録日 | 2021-07-07 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (1.71 Å) | | 主引用文献 | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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4YZ5
 | | Crystal Structure of Streptococcus pneumoniae NanC, in complex with 3-Sialyllactose | | 分子名称: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Putative neuraminidase, ... | | 著者 | Lukacik, P, Owen, C.D, Potter, J.A, Taylor, G.L, Walsh, M.A. | | 登録日 | 2015-03-24 | | 公開日 | 2015-09-23 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.27 Å) | | 主引用文献 | Streptococcus pneumoniae NanC: STRUCTURAL INSIGHTS INTO THE SPECIFICITY AND MECHANISM OF A SIALIDASE THAT PRODUCES A SIALIDASE INHIBITOR.
J.Biol.Chem., 290, 2015
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7UIB
 | | Crystal structure of BoNT/E receptor binding domain in complex with SV2, VHH, and sialic acid | | 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, N-acetyl-beta-neuraminic acid, ... | | 著者 | Liu, Z, Jin, R, Chen, P. | | 登録日 | 2022-03-29 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.77 Å) | | 主引用文献 | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
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7RC5
 | | Aeronamide N-methyltransferase, AerE (N231A) | | 分子名称: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Cogan, D.P, Reyes, R, Nair, S.K. | | 登録日 | 2021-07-07 | | 公開日 | 2022-03-30 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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6YVU
 | | Condensin complex from S.cerevisiae ATP-free apo non-engaged state | | 分子名称: | Condensin complex subunit 1,Condensin complex subunit 1,Ycs4, Condensin complex subunit 2,Condensin complex subunit 2,Brn1, Structural maintenance of chromosomes protein 2,Structural maintenance of chromosomes protein 2,Smc2, ... | | 著者 | Lee, B.-G, Cawood, C, Gutierrez-Escribano, P, Nakane, T, Merkel, F, Hassler, M, Aragon, L, Haering, C.H, Lowe, J. | | 登録日 | 2020-04-28 | | 公開日 | 2020-07-15 | | 最終更新日 | 2024-05-22 | | 実験手法 | ELECTRON MICROSCOPY (7.5 Å) | | 主引用文献 | Cryo-EM structures of holo condensin reveal a subunit flip-flop mechanism.
Nat.Struct.Mol.Biol., 27, 2020
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8EDZ
 | | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319 | | 分子名称: | Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, Polymerase acidic protein, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Jayaraman, S, Rankovic, Z, White, S.W. | | 登録日 | 2022-09-06 | | 公開日 | 2022-10-05 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ000986319
To Be Published
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7RC2
 | | Aeronamide N-methyltransferase, AerE | | 分子名称: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | | 著者 | Cogan, D.P, Reyes, R, Nair, S.K. | | 登録日 | 2021-07-07 | | 公開日 | 2022-03-30 | | 最終更新日 | 2024-05-22 | | 実験手法 | X-RAY DIFFRACTION (1.51 Å) | | 主引用文献 | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8DVO
 | | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044 | | 分子名称: | 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-{[2-(trifluoromethyl)phenyl]methyl}-1,6-dihydropyrimidine-4-carboxamide, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | | 著者 | Cuypers, M.G, Slavish, J.P, Rankovic, Z, White, S.W. | | 登録日 | 2022-07-29 | | 公開日 | 2022-09-28 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.33 Å) | | 主引用文献 | The crystal structure of wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with compound SJ001023044
To Be Published
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1H03
 | | Human CD55 domains 3 & 4 | | 分子名称: | COMPLEMENT DECAY-ACCELERATING FACTOR | | 著者 | Williams, P, Chaudhry, Y, Goodfellow, I, Billington, J, Spiller, B, Evans, D.J, Lea, S.M. | | 登録日 | 2002-06-11 | | 公開日 | 2003-03-20 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Mapping Cd55 Function. The Structure of Two Pathogen-Binding Domains at 1.7 A
J.Biol.Chem., 278, 2003
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4Z02
 | | Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid | | 分子名称: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, UNKNOWN ATOM OR ION, ... | | 著者 | DONG, A, IQBAL, A, WALKER, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, BROWN, P.J, Structural Genomics Consortium (SGC) | | 登録日 | 2015-03-25 | | 公開日 | 2015-04-22 | | 最終更新日 | 2023-09-27 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Crystal structure of BRD1 incomplex with Isoquinoline-3-carboxylic acid
to be published
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7UIA
 | | Crystal structure of BoNT/E receptor binding domain in complex with SV2 and VHH | | 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, DI(HYDROXYETHYL)ETHER, ... | | 著者 | Liu, Z, Jin, R, Chen, P. | | 登録日 | 2022-03-28 | | 公開日 | 2023-04-05 | | 最終更新日 | 2023-10-25 | | 実験手法 | X-RAY DIFFRACTION (2.59 Å) | | 主引用文献 | Structural basis for botulinum neurotoxin E recognition of synaptic vesicle protein 2.
Nat Commun, 14, 2023
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4Z1E
 | | Carbonic anhydrase inhibitors: Design and synthesis of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms (hCA VII, hCA IX, and hCA XIV) | | 分子名称: | 6-methoxy-1-(4-sulfamoylbenzoyl)quinolinium, Carbonic anhydrase 2, ZINC ION | | 著者 | Brynda, J, Pospisilova, K, Rezacova, P, Pachl, P. | | 登録日 | 2015-03-27 | | 公開日 | 2015-08-26 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.01 Å) | | 主引用文献 | Carbonic anhydrase inhibitors: Design, synthesis and structural characterization of new heteroaryl-N-carbonylbenzenesulfonamides targeting druggable human carbonic anhydrase isoforms.
Eur.J.Med.Chem., 102, 2015
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5EIH
 | | mAChE-TZ2/PA5 complex | | 分子名称: | 5-hept-6-ynyl-6-phenyl-phenanthridin-5-ium-3,8-diamine, ACETATE ION, Acetylcholinesterase, ... | | 著者 | Bourne, Y, Marchot, P. | | 登録日 | 2015-10-29 | | 公開日 | 2016-01-20 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Steric and Dynamic Parameters Influencing In Situ Cycloadditions to Form Triazole Inhibitors with Crystalline Acetylcholinesterase.
J.Am.Chem.Soc., 138, 2016
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6NSE
 | | BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE, H4B-FREE, CANAVANINE COMPLEX | | 分子名称: | ACETATE ION, CACODYLIC ACID, GLYCEROL, ... | | 著者 | Raman, C.S, Li, H, Martasek, P, Masters, B.S.S, Poulos, T.L. | | 登録日 | 1999-01-13 | | 公開日 | 2002-05-29 | | 最終更新日 | 2023-11-15 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Crystal Structures of the Heme Domain of Bovine Endothelial Nitric Oxide Synthase Complexed with Arginine Analogues
To be Published
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1Y90
 | | HIV-1 Dis(Mal) Duplex Mn-Soaked | | 分子名称: | 5'-R(*CP*(5BU)P*UP*GP*CP*UP*GP*AP*GP*GP*UP*GP*CP*AP*CP*AP*CP*AP*GP*CP*AP*AP*G)-3', MANGANESE (II) ION | | 著者 | Ennifar, E, Walter, P, Dumas, P. | | 登録日 | 2004-12-14 | | 公開日 | 2004-12-21 | | 最終更新日 | 2024-02-14 | | 実験手法 | X-RAY DIFFRACTION (3.08 Å) | | 主引用文献 | A crystallographic study of the binding of 13 metal ions to two related RNA duplexes
Nucleic Acids Res., 31, 2003
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4REA
 | | A Nuclease DNA complex | | 分子名称: | DNA (5'-D(*TP*GP*CP*TP*CP*GP*CP*CP*AP*C)-3'), DNA (5'-D(P*CP*GP*TP*GP*GP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*GP*GP*CP*GP*AP*GP*CP*GP*CP*TP*CP*GP*CP*CP*AP*CP*G)-3'), ... | | 著者 | Zhao, Q, Xue, X, Longerich, S, Sung, P, Xiong, Y. | | 登録日 | 2014-09-22 | | 公開日 | 2014-12-24 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (3.81 Å) | | 主引用文献 | Structural insights into 5' flap DNA unwinding and incision by the human FAN1 dimer.
Nat Commun, 5, 2014
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1HE5
 | | Human biliverdin IX beta reductase: NADP/Lumichrome ternary complex | | 分子名称: | BILIVERDIN IX BETA REDUCTASE, LUMICHROME, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | | 著者 | Pereira, P.J.B, Macedo-Ribeiro, S, Parraga, A, Perez-Luque, R, Cunningham, O, Darcy, K, Mantle, T.J, Coll, M. | | 登録日 | 2000-11-19 | | 公開日 | 2001-02-28 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structure of Human Biliverdin Ix Beta Reductase, an Early Fetal Bilirubin Ix Producing Enzyme
Nat.Struct.Biol., 8, 2001
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3P0C
 | | Nischarin PX-domain | | 分子名称: | GLYCEROL, Nischarin | | 著者 | Schutz, P, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kol, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nyman, T, Persson, C, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Wahlberg, E, Welin, M, Weigelt, J, Nordlund, P, Schuler, H, Structural Genomics Consortium (SGC) | | 登録日 | 2010-09-28 | | 公開日 | 2010-10-13 | | 最終更新日 | 2024-03-20 | | 実験手法 | X-RAY DIFFRACTION (2.273 Å) | | 主引用文献 | Crystal structure of Nischarin PX-domain
to be published
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5EOM
 | | Structure of full-length human MAB21L1 with bound CTP | | 分子名称: | CITRIC ACID, CYTIDINE-5'-TRIPHOSPHATE, Protein mab-21-like 1, ... | | 著者 | de Oliveira Mann, C.C, Witte, G, Hopfner, K.-P. | | 登録日 | 2015-11-10 | | 公開日 | 2016-06-01 | | 最終更新日 | 2024-05-01 | | 実験手法 | X-RAY DIFFRACTION (2.55 Å) | | 主引用文献 | Structural and biochemical characterization of the cell fate determining nucleotidyltransferase fold protein MAB21L1.
Sci Rep, 6, 2016
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