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6YPU
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Acinetobacter baumannii ribosome-amikacin complex - 30S subunit body
分子名称: (2S)-N-[(1R,2S,3S,4R,5S)-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-azanyl-2-[(2S,3R,4S,5S ,6R)-4-azanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-cyclohexyl]-4-azanyl-2-oxidanyl-butanamide, 16S ribosomal RNA, 30S ribosomal protein S11, ...
著者Nicholson, D, Edwards, T.A, O'Neill, A.J, Ranson, N.A.
登録日2020-04-16
公開日2020-09-16
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the 70S Ribosome from the Human Pathogen Acinetobacter baumannii in Complex with Clinically Relevant Antibiotics.
Structure, 28, 2020
6YRK
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P140-P110 complex fitted into the cryo-electron density map of the heterodimer
分子名称: Adhesin P1, Mgp-operon protein 3
著者Scheffer, M.P, Aparicio, D.
登録日2020-04-20
公開日2020-06-24
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Structure and mechanism of the Nap adhesion complex from the human pathogen Mycoplasma genitalium.
Nat Commun, 11, 2020
2IJ0
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Structural basis of T cell specificity and activation by the bacterial superantigen toxic shock syndrome toxin-1
分子名称: Toxic shock syndrome toxin-1, penultimate affinity-matured variant of hVbeta 2.1, D10
著者Moza, B, Varma, A.K, Buonpane, R.A, Zhu, P, Herfst, C.A, Nicholson, M.J, Wilbuer, A.K, Nulifer, S, Wucherpfenning, K.W, McCormick, J.K, Kranz, D.M, Sundberg, E.J.
登録日2006-09-28
公開日2007-02-20
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural basis of T-cell specificity and activation by the bacterial superantigen TSST-1.
Embo J., 26, 2007
6M69
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with GMPPCP (GDP)
分子名称: 1,2-ETHANEDIOL, GUANOSINE-5'-DIPHOSPHATE, Hydrolase, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-13
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
2INY
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BU of 2iny by Molmil
Nanoporous Crystals of Chicken Embryo Lethal Orphan (CELO) Adenovirus Major Coat Protein, Hexon
分子名称: Hexon protein
著者Xu, L, Benson, S.D, Burnett, R.M.
登録日2006-10-09
公開日2007-02-06
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Nanoporous crystals of chicken embryo lethal orphan (CELO) adenovirus major coat protein, hexon.
J.Struct.Biol., 157, 2007
6Y0C
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BU of 6y0c by Molmil
Influenza C virus polymerase in complex with human ANP32A - Subclass 2
分子名称: Polymerase acidic protein, Polymerase basic protein 2, RNA (5'-R(*AP*GP*UP*AP*GP*AP*AP*AP*CP*AP*AP*GP*GP*GP*CP*CP*UP*UP*UP*U)-3'), ...
著者Fan, H, Carrique, L, Keown, J.R, Grimes, J.M, Fodor, E.
登録日2020-02-07
公開日2020-11-25
最終更新日2024-05-22
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Host ANP32A mediates the assembly of the influenza virus replicase.
Nature, 587, 2020
7AGE
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Protease Sapp1p from Candida parapsilosis in complex with KB32
分子名称: Candidapepsin, DI(HYDROXYETHYL)ETHER, Pepstatin
著者Dostal, J, Heidingsfeld, O, Brynda, J.
登録日2020-09-22
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
6MDV
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Crystal structure of Streptococcus pyogenes endo-beta-N-acetylglucosaminidase (EndoS2) with high-mannose glycan
分子名称: CALCIUM ION, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Klontz, E.H, Trastoy, B, Orwenyo, J, Wang, L.X, Guerin, M.E, Sundberg, E.J.
登録日2018-09-05
公開日2019-02-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Molecular Basis of Broad SpectrumN-Glycan Specificity and Processing of Therapeutic IgG Monoclonal Antibodies by Endoglycosidase S2.
ACS Cent Sci, 5, 2019
6M6Y
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BU of 6m6y by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGTP
分子名称: 1,2-ETHANEDIOL, 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, Hydrolase, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-16
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
6M72
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Crystal structure of Mycobacterium smegmatis MutT1 in complex with 8-oxo-dGDP
分子名称: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate), Hydrolase, NUDIX family protein, ...
著者Raj, P, Karthik, S, Arif, S.M, Varshney, U, Vijayan, M.
登録日2020-03-16
公開日2020-10-14
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Plasticity, ligand conformation and enzyme action of Mycobacterium smegmatis MutT1.
Acta Crystallogr D Struct Biol, 76, 2020
7AKD
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BU of 7akd by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the 47D11 neutralizing antibody Fab fragment
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, 47D11 neutralizing antibody heavy chain, ...
著者Fedry, J, Hurdiss, D.L, Wang, C, Li, W, Obal, G, Drulyte, I, Howes, S.C, van Kuppeveld, F.J.M, Foerster, F, Bosch, B.J.
登録日2020-09-30
公開日2021-05-19
最終更新日2021-06-16
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural insights into the cross-neutralization of SARS-CoV and SARS-CoV-2 by the human monoclonal antibody 47D11.
Sci Adv, 7, 2021
7AJ8
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BU of 7aj8 by Molmil
Structure of DYRK1A in complex with compound 25
分子名称: 4-(1-benzofuran-5-yl)pyridin-2-amine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
2FS4
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BU of 2fs4 by Molmil
Ketopiperazine-Based Renin Inhibitors: Optimization of the C ring
分子名称: (6R)-6-({[1-(3-HYDROXYPROPYL)-1,7-DIHYDROQUINOLIN-7-YL]OXY}METHYL)-1-(4-{3-[(2-METHOXYBENZYL)OXY]PROPOXY}PHENYL)PIPERAZIN-2-ONE, Renin
著者Holsworth, D.D, Cai, C, Cheng, X.-M, Cody, W.L, Downing, D.M, Erasga, N, Lee, C, Powell, N.A, Edmunds, J.J, Stier, M, Jalaie, M, Zhang, E, McConnell, P, Ryan, M.J, Bryant, J, Li, T, Kasani, A, Hall, E, Subedi, R, Rahim, M, Maiti, S.
登録日2006-01-20
公開日2006-06-13
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Ketopiperazine-Based Renin Inhibitors: Optimization of the "C" Ring
BIOORG.MED.CHEM.LETT., 16, 2006
7AJ7
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BU of 7aj7 by Molmil
Structure of DYRK1A in complex with compound 16
分子名称: 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJS
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Structure of DYRK1A in complex with compound 33
分子名称: 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine, DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ...
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
2G0D
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BU of 2g0d by Molmil
Nisin cyclase
分子名称: Nisin biosynthesis protein nisC, ZINC ION
著者Nair, S.K.
登録日2006-02-12
公開日2006-05-23
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Structure and mechanism of the lantibiotic cyclase involved in nisin biosynthesis
Science, 311, 2006
7AJ5
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Structure of DYRK1A in complex with compound 10
分子名称: 4-(1-benzofuran-5-yl)pyridine-2,6-diamine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AJM
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BU of 7ajm by Molmil
Structure of DYRK1A in complex with compound 32
分子名称: DIMETHYL SULFOXIDE, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-29
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
2G3B
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BU of 2g3b by Molmil
Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
分子名称: GLYCEROL, putative TetR-family transcriptional regulator
著者Chruszcz, M, Evdokimova, E, Cymborowski, M, Kagan, O, Wang, S, Koclega, K.D, Savchenko, A, Edwards, A, Joachimiak, A, Minor, W, Midwest Center for Structural Genomics (MCSG)
登録日2006-02-17
公開日2006-03-14
最終更新日2022-04-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of putative TetR-family transcriptional regulator from Rhodococcus sp.
To be Published
2FVV
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Human Diphosphoinositol polyphosphate phosphohydrolase 1
分子名称: CHLORIDE ION, Diphosphoinositol polyphosphate phosphohydrolase 1, INOSITOL HEXAKISPHOSPHATE, ...
著者Hallberg, B.M, Kursula, P, Ogg, D, Arrowsmith, C, Berglund, H, Edwards, A, Ehn, M, Flodin, S, Graslund, S, Hammarstrom, M, Hogbom, M, Holmberg-Schiavone, L, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, van den Berg, S, Weigelt, J, Persson, C, Structural Genomics Consortium (SGC)
登録日2006-01-31
公開日2006-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structure of human diphosphoinositol phosphatase 1
Proteins, 77, 2009
2G4F
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Structure of S.olivaceoviridis xylanase Q88A/R275A mutant
分子名称: Hydrolase
著者Diertavitian, S, Kaneko, S, Fujimoto, Z, Kuno, A, Johansson, E, Lo Leggio, L.
登録日2006-02-22
公開日2007-03-06
最終更新日2021-11-10
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Structure-based engineering of glucose specificity in a family 10 xylanase from Streptomyces olivaceoviridis E-86
PROCESS BIOCHEM, 47, 2012
7AJA
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Structure of DYRK1A in complex with compound 28
分子名称: 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine, CHLORIDE ION, Dual specificity tyrosine-phosphorylation-regulated kinase 1A
著者Dokurno, P, Surgenor, A.E, Kotschy, A.
登録日2020-09-28
公開日2021-05-26
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-Guided Discovery of Potent and Selective DYRK1A Inhibitors.
J.Med.Chem., 64, 2021
7AKV
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The cryo-EM structure of the Vag8-C1 inhibitor complex
分子名称: Plasma protease C1 inhibitor, Vag8
著者Johnson, S, Lea, S.M, Deme, J.C, Furlong, E, Dhillon, A.
登録日2020-10-02
公開日2021-06-16
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Molecular Basis for Bordetella pertussis Interference with Complement, Coagulation, Fibrinolytic, and Contact Activation Systems: the Cryo-EM Structure of the Vag8-C1 Inhibitor Complex.
Mbio, 12, 2021
2DPP
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Crystal structure of thermostable Bacillus sp. RAPc8 nitrile hydratase
分子名称: COBALT (II) ION, Nitrile hydratase alpha subunit, Nitrile hydratase beta subunit
著者Tsekoa, T.L, Tastan-Bishop, A.O, Cameron, R.A, Sewell, B.T, Sayed, M.F, Cowan, D.A.
登録日2006-05-12
公開日2007-05-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.52 Å)
主引用文献Crystal structure of thermostable Bacillus sp. RAPc8 nitrile hydratse
To be Published
2G5F
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The structure of MbtI from Mycobacterium Tuberculosis, the first enzyme in the synthesis of Mycobactin, reveals it to be a salicylate synthase
分子名称: COG0147: Anthranilate/para-aminobenzoate synthases component I, GLYCEROL, IMIDAZOLE, ...
著者Harrison, A.J, Lott, J.S, Yu, M, Ramsay, R, Baker, E.N, TB Structural Genomics Consortium (TBSGC)
登録日2006-02-22
公開日2006-09-05
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Structure of MbtI from Mycobacterium tuberculosis, the First Enzyme in the Biosynthesis of the Siderophore Mycobactin, Reveals It To Be a Salicylate Synthase
J.Bacteriol., 188, 2006

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