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6R1B
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Crystal structure of UgpB from Mycobacterium tuberculosis in complex with glycerophosphocholine
分子名称: 2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM, GLYCEROL, MAGNESIUM ION, ...
著者Fenn, J, Nepravishta, R, Guy, C.S, Harrison, J, Angulo, J, Cameron, A.D, Fullam, E.
登録日2019-03-14
公開日2019-09-04
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.27000213 Å)
主引用文献Structural Basis of Glycerophosphodiester Recognition by theMycobacterium tuberculosisSubstrate-Binding Protein UgpB.
Acs Chem.Biol., 14, 2019
6R31
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Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide
分子名称: CALCIUM ION, Endoglucanase H, PHOSPHATE ION, ...
著者Ribeiro, D.O, Carvalho, A.L.
登録日2019-03-19
公開日2020-02-05
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum.
Febs J., 287, 2020
6R50
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BU of 6r50 by Molmil
Crystal structure of holo PPEP-1(E143A/Y178F) in complex with substrate peptide Ac-EVNAPVP-CONH2
分子名称: ACE-GLU-VAL-ASN-ALA-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.807 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R5C
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BU of 6r5c by Molmil
Crystal structure of PPEP-1(W103F/E143A/Y178F) in complex with substrate peptide Ac-EVNPPVP-CONH2
分子名称: ACE-GLU-VAL-ASN-PRO-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.881 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R4Y
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BU of 6r4y by Molmil
Crystal structure of holo PPEP-1(E143A/Y178F) in complex with product peptide Ac-EVNP-CO2 (substrate peptide: Ac-EVNPAVP-CONH2)
分子名称: ACE-GLU-VAL-ASN-PRO, Pro-Pro endopeptidase, ZINC ION
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.452 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R58
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BU of 6r58 by Molmil
Crystal structure of PPEP-1(E143A/Y178F/E184A) in complex with substrate peptide Ac-EVNAPVP-CONH2
分子名称: ACE-GLU-VAL-ASN-ALA-PRO-VAL-LPD, NICKEL (II) ION, PHOSPHATE ION, ...
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R51
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BU of 6r51 by Molmil
Crystal structure of apo PPEP-1(E143A/Y178F) in complex with fibrinogen-derived substrate peptide Ac-SLRPAPP-CONH2
分子名称: ACE-SER-LEU-ARG-PRO-ALA-PRO-LPD, PHOSPHATE ION, Pro-Pro endopeptidase
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R57
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BU of 6r57 by Molmil
Crystal structure of PPEP-1(E143A/Y178F/E184A) in complex with substrate peptide Ac-EVNPPVP-CONH2
分子名称: ACE-GLU-VAL-ASN-PRO-PRO-VAL-LPD, Pro-Pro endopeptidase, ZINC ION
著者Pichlo, C, Baumann, U.
登録日2019-03-24
公開日2019-06-12
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.899 Å)
主引用文献Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
5TJT
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BU of 5tjt by Molmil
T5 bacteriophage major capsid protein - one PB8 hexon
分子名称: Major capsid protein
著者Conway, J, Huet, A.
登録日2016-10-05
公開日2017-02-22
最終更新日2018-07-18
実験手法ELECTRON MICROSCOPY (9 Å)
主引用文献High affinity anchoring of the decoration protein pb10 onto the bacteriophage T5 capsid.
Sci Rep, 7, 2017
5TLQ
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BU of 5tlq by Molmil
Model structure of the oxidized PaDsbA1 and 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine complex
分子名称: 3-[(2-methylbenzyl)sulfanyl]-4H-1,2,4-triazol-4-amine, Thiol:disulfide interchange protein DsbA
著者Mohanty, B, Rimmer, K.A, McMahon, R.M, Headey, S.J, Vazirani, M, Shouldice, S.R, Coincon, M, Tay, S, Morton, C.J, Simpson, J.S, Martin, J.L, Scanlon, M.S.
登録日2016-10-11
公開日2017-04-12
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Fragment library screening identifies hits that bind to the non-catalytic surface of Pseudomonas aeruginosa DsbA1.
PLoS ONE, 12, 2017
5TJ1
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BU of 5tj1 by Molmil
Benenodin-1-dC5, state 1
分子名称: Benenodin-1
著者Zong, C, Link, A.J.
登録日2016-10-03
公開日2017-07-19
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Lasso Peptide Benenodin-1 Is a Thermally Actuated [1]Rotaxane Switch.
J. Am. Chem. Soc., 139, 2017
5TWW
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BU of 5tww by Molmil
Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
分子名称: Cyclic peptide ALA-ALA-ALA-UN1-ALA-ARG-ALA-ALA-ARG-ALA-ALA-ARG-ALA
著者Hoang, H.N.
登録日2016-11-14
公開日2016-12-14
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Alpha Helix Nucleation by a Simple Cyclic Tetrapeptide
To Be Published
5U9K
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BU of 5u9k by Molmil
Crystal structure of V71F mutant of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
分子名称: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
著者Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O.
登録日2016-12-16
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U3A
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BU of 5u3a by Molmil
Ultra High Resolution Crystal Structure of Human Pancreatic Alpha Amylase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
著者Caner, S, Brayer, G.D.
登録日2016-12-01
公開日2017-12-06
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (0.95 Å)
主引用文献Folding Then Binding vs Folding Through Binding in Macrocyclic Peptide Inhibitors of Human Pancreatic alpha-Amylase.
Acs Chem.Biol., 14, 2019
5UEX
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BU of 5uex by Molmil
BRD4_BD2_A-1497627
分子名称: 17-{[ethyl(dihydroxy)-lambda~4~-sulfanyl]amino}-11,13-difluoro-2-methyl-6,7,8,9-tetrahydrodibenzo[4,5:7,8][1,6]dioxacyclododecino[3,2-c]pyridin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5TPC
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BU of 5tpc by Molmil
Binding domain of BoNT/A complexed with ganglioside
分子名称: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
著者Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
登録日2016-10-20
公開日2017-01-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
5TXD
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BU of 5txd by Molmil
Structure of amyloid-beta derived peptide - NKGAIF
分子名称: Amyloid beta A4 protein, PHOSPHATE ION
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.452 Å)
主引用文献Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5TXH
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BU of 5txh by Molmil
Polymorphic form 2 of amyloid-beta derived peptide - IFAEDV
分子名称: IFAEDV, ISOPROPYL ALCOHOL
著者Sangwan, S, Sawaya, M.R, Eisenberg, D.
登録日2016-11-16
公開日2017-11-15
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Distal amyloid beta-protein fragments template amyloid assembly.
Protein Sci., 27, 2018
5UF3
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BU of 5uf3 by Molmil
Structure Effects of the Four-Adenine Loop of the Coliphage GA Replicase RNA Operator
分子名称: phage GA operator RNA hairpin
著者Chang, A.T, Tran, M, DeJong, E, Nikonowicz, E.P.
登録日2017-01-03
公開日2017-05-31
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and Dynamics of the Tetra-A Loop and (A-A)-U Sequence Motif within the Coliphage GA Replicase RNA Operator.
Biochemistry, 56, 2017
5U9A
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BU of 5u9a by Molmil
Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
分子名称: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1)
著者Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O.
登録日2016-12-15
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5U9J
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BU of 5u9j by Molmil
Crystal structure of the FKBP domain of human aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1) complexed with geranyl geranyl pyrophoshate
分子名称: Aryl hydrocarbon receptor-interacting protein-like 1 (AIPL1), GERAN-8-YL GERAN, ISOPROPYL ALCOHOL, ...
著者Yadav, R.P, Gakhar, L, Liping, Y, Artemyev, N.O.
登録日2016-12-16
公開日2017-07-26
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unique structural features of the AIPL1-FKBP domain that support prenyl lipid binding and underlie protein malfunction in blindness.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5UEU
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BU of 5ueu by Molmil
BRD4_BD2_A-1107604
分子名称: Bromodomain-containing protein 4, methyl [(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
著者Park, C.H.
登録日2017-01-03
公開日2017-05-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UF0
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BU of 5uf0 by Molmil
BRD4_BD2-A-35165
分子名称: 2-methyl-5-(methylamino)-6-phenylpyridazin-3(2H)-one, Bromodomain-containing protein 4
著者Park, C.H.
登録日2017-01-03
公開日2017-06-28
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Fragment-Based, Structure-Enabled Discovery of Novel Pyridones and Pyridone Macrocycles as Potent Bromodomain and Extra-Terminal Domain (BET) Family Bromodomain Inhibitors.
J. Med. Chem., 60, 2017
5UHN
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BU of 5uhn by Molmil
Crystal Structure of the Tyrosine Kinase Domain of FGF Receptor 2 harboring a N549H/E565A Double Gain-of-Function Mutation
分子名称: Fibroblast growth factor receptor 2, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
著者Mohammadi, M, Chen, H.
登録日2017-01-11
公開日2017-02-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.909 Å)
主引用文献Elucidation of a four-site allosteric network in fibroblast growth factor receptor tyrosine kinases.
Elife, 6, 2017
5UHR
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BU of 5uhr by Molmil
Crystal structure of (Cit)LANFLV heptapeptide segment from islet amyloid polypeptide (IAPP) incorporated into a macrocyclic beta-sheet template
分子名称: CHLORIDE ION, ORN-CIR-LEU-ALA-ASN-PHE-LEU-VAL-ORN-ILE-LYS-HAO-LYS-A8E
著者Wang, Y, Kreutzer, A.G, Nowick, J.S.
登録日2017-01-11
公開日2017-07-12
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.798 Å)
主引用文献A Tetramer Derived from Islet Amyloid Polypeptide.
J. Org. Chem., 82, 2017

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件を2024-07-17に公開中

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