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PDB: 51630 件
6STQ
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BU of 6stq by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N,N'-Diacetylchitobiose; 30 seconds soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STN
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BU of 6stn by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl glucosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STM
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BU of 6stm by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL)
分子名称: Arundo donax Lectin (ADL), GLYCEROL
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6STP
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BU of 6stp by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with sialic acid
分子名称: Arundo donax Lectin (ADL), GLYCEROL, N-acetyl-alpha-neuraminic acid
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
8FCG
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BU of 8fcg by Molmil
Cryo-EM structure of Chikungunya virus asymmetric unit
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Capsid protein, E1 glycoprotein, ...
著者Su, G.C, Chmielewsk, D, Kaelber, J, Pintilie, G, Chen, M, Jin, J, Auguste, A, Chiu, W.
登録日2022-12-01
公開日2024-03-20
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.09 Å)
主引用文献Cryogenic electron microscopy and tomography reveal imperfect icosahedral symmetry in alphaviruses.
Pnas Nexus, 3, 2024
6STO
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BU of 6sto by Molmil
Three dimensional structure of the giant reed (Arundodonax) lectin (ADL) complex with N-Acetyl lactosamine
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Arundo donax Lectin (ADL), GLYCEROL, ...
著者Perduca, M, Monaco, H.L, Bovi, M, Destefanis, L, Nadali, D, Fin, L, Carrizo, M.E.
登録日2019-09-11
公開日2021-07-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Three-dimensional structure and properties of the giant reed (Arundo donax) lectin (ADL).
Glycobiology, 2021
6ST5
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BU of 6st5 by Molmil
crystal structure of LicM2
分子名称: GLYCEROL, LicM2, MAGNESIUM ION, ...
著者Gonsior, M, Mainz, A, Hugelland, M, Kuthning, A, Tietzmann, M, Dobbek, H, Martins, B.M, Sussmuth, R.
登録日2019-09-10
公開日2022-08-10
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献crystal structure of LicM2
To Be Published
6SZF
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BU of 6szf by Molmil
Solution structure of the amyloid beta-peptide (1-42)
分子名称: Amyloid-beta precursor protein
著者Grimaldi, M, Santoro, A, Stillitano, I, Buonocore, M, D'Ursi, A.M.
登録日2019-10-02
公開日2020-10-14
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献Exploring the Early Stages of the Amyloid A beta (1-42) Peptide Aggregation Process: An NMR Study.
Pharmaceuticals, 14, 2021
5MYR
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BU of 5myr by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK735816A at 1.83A resolution
分子名称: 6-fluoranyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1,3-benzothiazol-2-amine, HTH-type transcriptional regulator EthR
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.828 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYW
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BU of 5myw by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound SB-435634 at 1.77A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
著者Blaszczyk, M, Mendes, V, Mugumbate, G, Blundell, T.L.
登録日2017-01-30
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
5MYM
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BU of 5mym by Molmil
Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound GSK2032710A at 2.28A resolution
分子名称: 1,2-ETHANEDIOL, HTH-type transcriptional regulator EthR, [4-(phenylmethyl)piperidin-1-yl]-[1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
著者Mendes, V, Blaszczyk, M, Mugumbate, G, Blundell, T.L.
登録日2017-01-27
公開日2017-10-25
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Target Identification of Mycobacterium tuberculosis Phenotypic Hits Using a Concerted Chemogenomic, Biophysical, and Structural Approach.
Front Pharmacol, 8, 2017
6T22
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BU of 6t22 by Molmil
N-terminal domain of EcoKMcrA restriction endonuclease (NEco) in complex with T5hmCGA target sequence
分子名称: DNA (5'-D(*GP*AP*AP*TP*(5HC)P*GP*AP*TP*GP*A)-3'), DNA (5'-D(*TP*CP*AP*TP*(5HC)P*GP*AP*TP*TP*C)-3'), EcoKMcrA modification dependent restriction endonuclease
著者Slyvka, A, Zagorskaite, E, Czapinska, H, Sasnauskas, G, Bochtler, M.
登録日2019-10-07
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of the EcoKMcrA N-terminal domain (NEco): recognition of modified cytosine bases without flipping.
Nucleic Acids Res., 47, 2019
6FHH
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BU of 6fhh by Molmil
Crystal structure of bat influenza A/H17N10 polymerase with viral RNA promoter bound to a 22-mer modified Pol II CTD peptide with serine 5 thiophosphorylated.
分子名称: PHOSPHATE ION, Polymerase acidic protein, Polymerase basic protein 2, ...
著者Lukarska, M, Cusack, S.
登録日2018-01-14
公開日2019-01-30
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Towards New Anti-Influenza Therapeutics: Structure-Activity Relationships in the Interaction between Heterotrimeric Influenza Polymerase and Pol II C-terminal domain
To Be Published
6F18
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BU of 6f18 by Molmil
Structure of Mb NMH H64V, V68A mutant complex with EDA
分子名称: ETHYL ACETATE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
著者Tinzl, M, Hayashi, T, Mori, T, Hilvert, D.
登録日2017-11-21
公開日2018-08-22
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Capture and characterization of a reactive haem-carbenoid complex in an artificial metalloenzyme
Nat Catal, 1, 2018
5N12
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BU of 5n12 by Molmil
Crystal structure of TCE treated rPPEP-1
分子名称: 2,2,2-tris-chloroethanol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ...
著者Pichlo, C, Schacherl, M, Baumann, U.
登録日2017-02-04
公開日2018-05-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Improved protein-crystal identification by using 2,2,2-trichloroethanol as a fluorescence enhancer.
Acta Crystallogr F Struct Biol Commun, 74, 2018
8G3C
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BU of 8g3c by Molmil
Crystal structure of human WDR5 in complex with N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide (compound 1, WDR5-MYC PPI inhibitor)
分子名称: N-[(2'-cyano[1,1'-biphenyl]-4-yl)methyl]-3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
6T2P
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BU of 6t2p by Molmil
Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, Glycosyl hydrolase family 16
著者Crouch, L.I, Liberato, M.V, Ubranowicz, P.A, Basle, A, Lamb, C.A, Cooke, K, Doona, M, Needham, S, Brady, R.R, Berrington, J.E, Madubic, K, Chater, P, Zhang, F, Linhardt, R.J, Spence, D.I.R, Bolam, D.N.
登録日2019-10-09
公開日2020-07-08
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Prominent members of the human gut microbiota express endo-acting O-glycanases to initiate mucin breakdown.
Nat Commun, 11, 2020
8GAP
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BU of 8gap by Molmil
Structure of LARP7 protein p65-telomerase RNA complex in telomerase
分子名称: Telomerase La-related protein p65, Telomerase RNA, Telomerase associated protein p50, ...
著者Wang, Y, He, Y, Wang, Y, Yang, Y, Singh, M, Eichhorn, C.D, Zhou, Z.H, Feigon, J.
登録日2023-02-23
公開日2023-06-28
最終更新日2024-06-19
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of LARP7 Protein p65-telomerase RNA Complex in Telomerase Revealed by Cryo-EM and NMR.
J.Mol.Biol., 435, 2023
6T3B
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BU of 6t3b by Molmil
Crystal structure of PI3Kgamma with a dihydropurinone inhibitor (compound 4)
分子名称: 2-[(4-methoxy-2-methyl-phenyl)amino]-7-methyl-9-(4-oxidanylcyclohexyl)purin-8-one, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
著者Petersen, J, Oster, L, Schimpl, M, Goldberg, F.W, Finlay, M.R.V, Ting, A.K.T, Beattie, D, Lamont, G.M, Fallan, C, Wrigley, G.L, Howard, M.R, Williamson, B, Davies, B.R, Cadogan, E.B, Ramos-Montoya, A, Dean, E.
登録日2019-10-10
公開日2020-01-01
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.01 Å)
主引用文献The Discovery of 7-Methyl-2-[(7-methyl[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-9-(tetrahydro-2H-pyran-4-yl)-7,9-dihydro-8H-purin-8-one (AZD7648), a Potent and Selective DNA-Dependent Protein Kinase (DNA-PK) Inhibitor.
J.Med.Chem., 63, 2020
1WI9
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BU of 1wi9 by Molmil
Solution structure of the PCI domain from mouse hypothetical protein AAH51541
分子名称: Protein C20orf116 homolog
著者Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2004-05-28
公開日2004-11-28
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Solution structure of the PCI domain from mouse hypothetical protein AAH51541
To be Published
1HC9
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BU of 1hc9 by Molmil
alpha-bungarotoxin complexed with high affinity peptide
分子名称: ALPHA-BUNGAROTOXIN ISOFORM A31, ALPHA-BUNGAROTOXIN ISOFORM V31, IODIDE ION, ...
著者Harel, M, Kasher, R, Sussman, J.L.
登録日2001-05-02
公開日2001-11-10
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The Binding Site of Acetylcholine Receptor as Visualized in the X-Ray Structure of a Complex between Alpha-Bungarotoxin and a Mimotope Peptide.
Neuron, 32, 2001
8G3E
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BU of 8g3e by Molmil
Crystal structure of human WDR5 in complex with (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide (compound 2, WDR5-MYC inhibitor)
分子名称: (1M)-N-[(3,5-difluoro[1,1'-biphenyl]-4-yl)methyl]-6-methyl-4-oxo-1-(pyridin-3-yl)-1,4-dihydropyridazine-3-carboxamide, WD repeat-containing protein 5
著者Zhao, M.
登録日2023-02-07
公開日2023-06-28
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Discovery and Structure-Based Design of Inhibitors of the WD Repeat-Containing Protein 5 (WDR5)-MYC Interaction.
J.Med.Chem., 66, 2023
2QV5
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BU of 2qv5 by Molmil
Crystal structure of uncharacterized protein ATU2773 from Agrobacterium tumefaciens C58
分子名称: GLYCEROL, Uncharacterized protein Atu2773
著者Patskovsky, Y, Bonanno, J.B, Sojitra, S, Dickey, M, Bain, K.T, Iizuka, M, Smith, D, Rodgers, L, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2007-08-07
公開日2007-08-21
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of Uncharacterized Protein Atu2773 from Agrobacterium Tumefaciens.
To be Published
1H42
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BU of 1h42 by Molmil
FERREDOXIN:NADP+ REDUCTASE MUTANT WITH THR 155 REPLACED BY GLY, ALA 160 REPLACED BY THR AND LEU 263 REPLACED BY PRO (T155G-A160T-L263P)
分子名称: FERREDOXIN--NADP+ REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Hermoso, J.A, Mayoral, T, Medina, M, Sanz-Aparicio, J, Gomez-Moreno, C.
登録日2002-09-26
公開日2003-09-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Involvement of the Pyrophosphate and the 2'-Phosphate Binding Regions of Ferredoxin-Nadp+ Reductase in Coenzyme Specificity
J.Biol.Chem., 278, 2003
6T3S
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BU of 6t3s by Molmil
Structure of Oceanobacillus iheyensis group II intron U-mutant (C289U/C358U/G385A) in the presence of Na+, Mg2+ and 5'-exon
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Group IIC Intron Ribozyme, MAGNESIUM ION, ...
著者Marcia, M, Pyle, A.M.
登録日2019-10-11
公開日2020-05-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献Visualizing group II intron dynamics between the first and second steps of splicing.
Nat Commun, 11, 2020

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