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7BHP
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Cryo-EM structure of the human Ebp1 - 80S ribosome
分子名称: 28S ribosomal RNA, 5.8S ribosomal RNA, 5S ribosomal RNA, ...
著者Desogus, J, Bhaskar, V, Chao, J.A.
登録日2021-01-11
公開日2021-02-03
最終更新日2021-03-31
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Dynamic association of human Ebp1 with the ribosome.
Rna, 27, 2021
7B9B
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BU of 7b9b by Molmil
Crystal structure of human 5' exonuclease Appollo APO form
分子名称: 5' exonuclease Apollo, NICKEL (II) ION
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-12-14
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6GZV
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Identification of a druggable VP1-VP3 interprotomer pocket in the capsid of enteroviruses
分子名称: 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid, Capsid protein VP1, Capsid protein VP2, ...
著者Geraets, J.A, Flatt, J.W, Domanska, A, Butcher, S.J.
登録日2018-07-05
公開日2019-06-05
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献A novel druggable interprotomer pocket in the capsid of rhino- and enteroviruses.
Plos Biol., 17, 2019
6GNT
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Crystal Structure of Leishmania major N-Myristoyltransferase (NMT) With Bound Myristoyl-CoA and a Quionlinyl aryl sulphonamide ligand
分子名称: 4-[4-(1-methylpiperidin-4-yl)butyl]-~{N}-(6-pyrrolidin-1-ylquinolin-5-yl)benzenesulfonamide, GLYCEROL, Glycylpeptide N-tetradecanoyltransferase, ...
著者Robinson, D.A, Harrison, J.R, Brand, S, Smith, V.C, Thompson, S, Smith, A, Davies, K, Mok, N.Y, Torrie, L.S, Collie, I, Hallyburton, I, Norval, S, Simeons, F.R.C, Stojanovski, L, Frearson, J.A, Brenk, R, Wyatt, P.G, Gilbert, I.H, Read, K.D.
登録日2018-05-31
公開日2018-09-26
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A Molecular Hybridization Approach for the Design of Potent, Highly Selective, and Brain-Penetrant N-Myristoyltransferase Inhibitors.
J. Med. Chem., 61, 2018
6GU7
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CDK1/Cks2 in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6J7N
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Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant D82A co-expressed with TakA from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.294 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7S
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Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) wild type protein from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.102 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
7A1F
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Crystal structure of human 5' exonuclease Appollo in complex with 5'dAMP
分子名称: 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, 5' exonuclease Apollo, FE (III) ION, ...
著者Newman, J.A, Baddock, H.T, Mukhopadhyay, S.M.M, Burgess-Brown, N.A, von Delft, F, Arrowshmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2020-08-12
公開日2021-01-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A phosphate binding pocket is a key determinant of exo- versus endo-nucleolytic activity in the SNM1 nuclease family.
Nucleic Acids Res., 49, 2021
6H5O
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Crystal structure of PBP2a from MRSA in complex with piperacillin at active site.
分子名称: CADMIUM ION, Penicillin binding protein 2 prime, Piperacillin (Open Form)
著者Batuecas, M.T, Martinez-Caballero, S, Hermoso, J.A.
登録日2018-07-25
公開日2019-08-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献The Quinazolinone Allosteric Inhibitor of PBP 2a Synergizes with Piperacillin and Tazobactam against Methicillin-Resistant Staphylococcus aureus.
Antimicrob.Agents Chemother., 63, 2019
6H75
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SiaP A11N in complex with Neu5Ac (RT)
分子名称: N-acetyl-beta-neuraminic acid, Sialic acid-binding periplasmic protein SiaP
著者Fischer, M, Darby, J.F, Brannigan, J.A, Turkenburg, J, Hubbard, R.E.
登録日2018-07-30
公開日2019-08-14
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Water Networks Can Determine the Affinity of Ligand Binding to Proteins.
J.Am.Chem.Soc., 141, 2019
6GI4
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BU of 6gi4 by Molmil
Structure of Lytic Transglycosylase MltE mutant S75A from E.coli
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Endo-type membrane-bound lytic murein transglycosylase A
著者Batuecas, M.T, Hermoso, J.A.
登録日2018-05-09
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献A Structural Dissection of the Active Site of the Lytic Transglycosylase MltE from Escherichia coli.
Biochemistry, 57, 2018
6GL8
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BU of 6gl8 by Molmil
Crystal structure of Bcl-2 in complex with the novel orally active inhibitor S55746
分子名称: Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Bcl-2-like protein 1,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2,Apoptosis regulator Bcl-2, ~{N}-(4-hydroxyphenyl)-3-[6-[[(3~{S})-3-(morpholin-4-ylmethyl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]-1,3-benzodioxol-5-yl]-~{N}-phenyl-5,6,7,8-tetrahydroindolizine-1-carboxamide
著者Casara, P, Davidson, J, Claperon, A, Le Toumelin-Braizat, G, Vogler, M, Bruno, A, Chanrion, M, Lysiak-Auvity, G, Le Diguarher, T, Starck, J.B, Chen, I, Whitehead, N, Graham, C, Matassova, N, Dokurno, P, Pedder, C, Wang, Y, Qiu, S, Girard, A.M, Schneider, E, Grave, F, Studeny, A, Guasconi, G, Rocchetti, F, Maiga, S, Henlin, J.M, Colland, F, Kraus-Berthier, L, Le Gouill, S, Dyer, M.J.S, Hubbard, R, Wood, M, Amiot, M, Cohen, G.M, Hickman, J.A, Morris, E, Murray, J, Geneste, O.
登録日2018-05-23
公開日2018-11-07
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献S55746 is a novel orally active BCL-2 selective and potent inhibitor that impairs hematological tumor growth.
Oncotarget, 9, 2018
6GU3
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CDK1/CyclinB/Cks2 in complex with AZD5438
分子名称: 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine, Cyclin-dependent kinase 1, Cyclin-dependent kinases regulatory subunit 2, ...
著者Wood, D.J, Korolchuk, S, Tatum, N.J, Wang, L.Z, Endicott, J.A, Noble, M.E.M, Martin, M.P.
登録日2018-06-19
公開日2018-12-05
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Differences in the Conformational Energy Landscape of CDK1 and CDK2 Suggest a Mechanism for Achieving Selective CDK Inhibition.
Cell Chem Biol, 26, 2019
6GXX
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Fab fragment of an antibody selective for alpha-1-antitrypsin in the native conformation
分子名称: FAB 1D9 heavy chain, FAB 1D9 light chain, MAGNESIUM ION
著者Elliston, E.L.K, Miranda, E, Perez, J, Lomas, D.A, Irving, J.A.
登録日2018-06-27
公開日2019-07-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterisation of a monoclonal antibody conformationally-selective for native alpha-1-antitrypsin
To Be Published
6GY4
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Crystal structure of the N-terminal KH domain of human BICC1
分子名称: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, CHLORIDE ION, Protein bicaudal C homolog 1, ...
著者Newman, J.A, Katis, V.L, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2018-06-28
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.986 Å)
主引用文献Crystal structure of the N-terminal KH domain of human BICC1
To Be Published
7A2D
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BU of 7a2d by Molmil
Structure-function analyses of dual-BON domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation to the cell division site
分子名称: Uncharacterized protein YraP
著者Bryant, J.A, Morris, F.C, Knowles, T.J, Maderbocus, R, Heinz, E, Boelter, G, Alodaini, D, Colyer, A, Wotherspoon, P.J, Staunton, K.A, Jeeves, M, Browning, D.F, Sevastsyanovich, Y.R, Wells, T.J, Rossiter, A.E, Bavro, V.N, Sridhar, P, Ward, D.G, Chong, Z.S, Goodall, E.C.A, Icke, C, Teo, A, Chng, S.S, Roper, D.I, Lithgow, T, Cunningham, A.F, Banzhaf, M, Overduin, M, Henderson, I.R.
登録日2020-08-17
公開日2020-12-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structure of dual BON-domain protein DolP identifies phospholipid binding as a new mechanism for protein localisation.
Elife, 9, 2020
2HI3
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Solution structure of the homeodomain-only protein HOP
分子名称: Homeodomain-only protein
著者Mackay, J.P, Kook, H, Epstein, J.A, Simpson, R.J, Yung, W.W.
登録日2006-06-28
公開日2007-01-02
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Analysis of the structure and function of the transcriptional coregulator HOP
Biochemistry, 45, 2006
6J7P
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Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant E146Q co-expressed with TakA from Mycobacterium tuberculosis
分子名称: MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2020-05-20
実験手法X-RAY DIFFRACTION (2.629 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6J7Q
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Crystal structure of toxin TglT (unusual type guanylyltransferase-like toxin, Rv1045) mutant S78A from Mycobacterium tuberculosis
分子名称: CALCIUM ION, MAGNESIUM ION, guanylyltransferase-like toxin
著者Yu, X, Gao, X, Zhu, K, Wojdyla, J.A, Wang, M, Cui, S.
登録日2019-01-18
公開日2020-05-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Characterization of a toxin-antitoxin system in Mycobacterium tuberculosis suggests neutralization by phosphorylation as the antitoxicity mechanism.
Commun Biol, 3, 2020
6I0N
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Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan ended in anhNAM
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-26
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6HMK
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POLYADPRIBOSYL GLYCOHYDROLASE IN COMPLEX WITH PDD00016690
分子名称: 1-methyl-~{N}-(1-methylcyclopropyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]-2,4-bis(oxidanylidene)quinazoline-6-sulfonamide, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tucker, J.A, Barkauskaite, E.
登録日2018-09-12
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018
6I09
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Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with denuded glycan obtained by soaking
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-25
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6HJL
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Affimer:BclxL
分子名称: Affimer ADB13, Bcl-2-like protein 1
著者Miles, J.A, Trinh, C.H, Tomlinson, D.C, Wilson, A.J, Edwards, T.A.
登録日2018-09-04
公開日2020-03-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Selective Affimers Recognize BCL-2 Family Proteins Through Non-Canonical Structural Motifs
Biorxiv, 2020
6I0A
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Crystal structure of RlpA SPOR domain from Pseudomonas aeruginosa in complex with nuded glycan obtained by co-crystallization
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, Endolytic peptidoglycan transglycosylase RlpA
著者Alcorlo, M, Hermoso, J.A.
登録日2018-10-25
公開日2019-11-13
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural basis of denuded glycan recognition by SPOR domains in bacterial cell division.
Nat Commun, 10, 2019
6HML
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POLYADPRIBOSYL GLYCOSIDASE IN COMPLEX WITH PDD00017299
分子名称: 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Tucker, J.A, Barkauskaite, E.
登録日2018-09-12
公開日2018-11-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Cell-Active Small Molecule Inhibitors of the DNA-Damage Repair Enzyme Poly(ADP-ribose) Glycohydrolase (PARG): Discovery and Optimization of Orally Bioavailable Quinazolinedione Sulfonamides.
J.Med.Chem., 61, 2018

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