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7YNP
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BU of 7ynp by Molmil
BF227-bound alpha-synuclein fibrils
分子名称: 5-[(~{E})-2-(6-methoxy-1,3-benzoxazol-2-yl)ethenyl]-~{N},~{N}-dimethyl-1,3-thiazol-2-amine, Alpha-synuclein
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-31
公開日2023-08-02
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献BF227-bound alpha-synuclein fibrils
To Be Published
7YNN
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BU of 7ynn by Molmil
ThT-bound alpha-synuclein fibrils conformation 2
分子名称: 2-[4-(dimethylamino)phenyl]-3,6-dimethyl-1,3-benzothiazol-3-ium, Alpha-synuclein
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-31
公開日2023-08-02
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献ThT-bound alpha-synuclein fibrils conformation 2
To Be Published
7YNO
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BU of 7yno by Molmil
PiB-bound alpha-synuclein fibrils conformation 1
分子名称: 2-[4-(methylamino)phenyl]-1,3-benzothiazol-6-ol, Alpha-synuclein
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-31
公開日2023-08-02
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献PiB-bound alpha-synuclein fibrils conformation 1
To Be Published
7YNG
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BU of 7yng by Molmil
CR-bound alpha-synuclein fibrils
分子名称: Alpha-synuclein
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-30
公開日2023-08-02
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献CR-bound alpha-synuclein fibrils
To Be Published
7YNS
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BU of 7yns by Molmil
SIL5-bound alpha-synuclein fibrils
分子名称: Alpha-synuclein
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-31
公開日2023-08-02
最終更新日2024-07-03
実験手法ELECTRON MICROSCOPY (3 Å)
主引用文献SIL5-bound alpha-synuclein fibrils
To Be Published
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
著者Huang, C.S, Yin, J.P, Hymowitz, S.G.
登録日2019-07-06
公開日2019-12-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
5MY9
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BU of 5my9 by Molmil
Crystal structure of human 14-3-3 sigma in complex with LRRK2 peptide pS935
分子名称: 14-3-3 protein sigma, CALCIUM ION, CHLORIDE ION, ...
著者Stevers, L.M, de Vries, R.M.J.M, Ottmann, C.
登録日2017-01-26
公開日2017-03-01
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.327 Å)
主引用文献Structural interface between LRRK2 and 14-3-3 protein.
Biochem. J., 474, 2017
6PEB
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BU of 6peb by Molmil
Crystal Structure of human NAMPT in complex with NVP-LTM976
分子名称: N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-3-(pyridin-3-yl)azetidine-1-carboxamide, Nicotinamide phosphoribosyltransferase, PHOSPHATE ION
著者Weihofen, W.A.
登録日2019-06-20
公開日2019-12-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献Scaffold Morphing Identifies 3-Pyridyl Azetidine Ureas as Inhibitors of Nicotinamide Phosphoribosyltransferase (NAMPT).
Acs Med.Chem.Lett., 10, 2019
1QAJ
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BU of 1qaj by Molmil
CRYSTAL STRUCTURES OF THE N-TERMINAL FRAGMENT FROM MOLONEY MURINE LEUKEMIA VIRUS REVERSE TRANSCRIPTASE COMPLEXED WITH NUCLEIC ACID: FUNCTIONAL IMPLICATIONS FOR TEMPLATE-PRIMER BINDING TO THE FINGERS DOMAIN
分子名称: DNA (5'-D(*CP*AP*TP*GP*CP*AP*TP*G)-3'), REVERSE TRANSCRIPTASE
著者Najmudin, S, Cote, M, Sun, D, Yohannan, S, Montano, S.P, Gu, J, Georgiadis, M.M.
登録日1999-03-18
公開日2000-04-02
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structures of an N-terminal fragment from Moloney murine leukemia virus reverse transcriptase complexed with nucleic acid: functional implications for template-primer binding to the fingers domain.
J.Mol.Biol., 296, 2000
5MGQ
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BU of 5mgq by Molmil
Solution structure of oxidized and amidated human IAPP (1-37), the diabetes II peptide.
分子名称: Islet amyloid polypeptide
著者Rodriguez Camargo, D.C, Tripsianes, K, Reif, B.
登録日2016-11-21
公開日2017-03-29
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献The redox environment triggers conformational changes and aggregation of hIAPP in Type II Diabetes.
Sci Rep, 7, 2017
5QSD
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BU of 5qsd by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z54571979
分子名称: N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QS9
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BU of 5qs9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z48847594
分子名称: N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献PanDDA analysis group deposition
To Be Published
7YNF
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BU of 7ynf by Molmil
CCA-bound alpha-synuclein fibrils
分子名称: Alpha-synuclein, copper;trisodium;18-(2-carboxylatoethyl)-20-(carboxylatomethyl)-12-ethenyl-7-ethyl-3,8,13,17-tetramethyl-17,18-dihydroporphyrin-21,23-diide-2-carboxylate
著者Tao, Y.Q, Zhao, Q.Y, Liu, C, Li, D.
登録日2022-07-30
公開日2023-12-06
実験手法ELECTRON MICROSCOPY (2.5 Å)
主引用文献CCA-bound alpha-synuclein fibrils
To Be Published
5CE6
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BU of 5ce6 by Molmil
N-terminal domain of FACT complex subunit SPT16 from Cicer arietinum (chickpea)
分子名称: ACETATE ION, FACT-Spt16, POTASSIUM ION, ...
著者Are, V.N, Ghosh, B, Kumar, A, Makde, R.
登録日2015-07-06
公開日2016-04-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure and dynamics of Spt16N-domain of FACT complex from Cicer arietinum.
Int.J.Biol.Macromol., 88, 2016
4WQ6
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BU of 4wq6 by Molmil
The crystal structure of human Nicotinamide phosphoribosyltransferase (NAMPT) in complex with N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide inhibitor (compound 21)
分子名称: 1,2-ETHANEDIOL, N-(4-{(S)-[1-(2-methylpropyl)piperidin-4-yl]sulfinyl}benzyl)furo[2,3-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ...
著者Li, D, Wang, W.
登録日2014-10-21
公開日2015-02-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Identification of nicotinamide phosphoribosyltransferase (NAMPT) inhibitors with no evidence of CYP3A4 time-dependent inhibition and improved aqueous solubility.
Bioorg.Med.Chem.Lett., 25, 2015
6P7I
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BU of 6p7i by Molmil
Crystal structure of Human PRMT6 in complex with S-Adenosyl-L-Homocysteine and YS17-117 Compound
分子名称: GLYCEROL, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]prop-2-enamide, N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide, ...
著者Halabelian, L, Dong, A, Zeng, H, Li, Y, Seitova, A, Hutchinson, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2019-06-05
公開日2019-06-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery of a First-in-Class Protein Arginine Methyltransferase 6 (PRMT6) Covalent Inhibitor
J.Med.Chem., 63, 2020
5N5T
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BU of 5n5t by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV2
分子名称: 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyphenol, CHLORIDE ION, ...
著者Sijbesma, E, Leysen, S, Ottmann, C.
登録日2017-02-14
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
6P8G
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BU of 6p8g by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
分子名称: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1
著者Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
登録日2019-06-07
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019
7T9I
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BU of 7t9i by Molmil
Native human TSH bound to human Thyrotropin receptor in complex with miniGs399 (composite structure)
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, Glycoprotein hormones alpha chain, ...
著者Faust, B, Cheng, Y, Manglik, A.
登録日2021-12-19
公開日2022-08-03
最終更新日2022-10-05
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Autoantibody mimicry of hormone action at the thyrotropin receptor.
Nature, 609, 2022
8A9L
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BU of 8a9l by Molmil
Cryo-EM structure of alpha-synuclein filaments from Parkinson's disease and dementia with Lewy bodies
分子名称: Alpha-synuclein, Unknown fragment
著者Yang, Y, Shi, Y, Schweighauser, M, Zhang, X.J, Kotecha, A, Murzin, A.G, Garringer, H.J, Cullinane, P, Saito, Y, Foroud, T, Warner, T.T, Hasegawa, K, Vidal, R, Murayama, S, Revesz, T, Ghetti, B, Hasegawa, M, Lashley, T, Scheres, H.W.S, Goedert, M.
登録日2022-06-28
公開日2022-08-31
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.2 Å)
主引用文献Structures of alpha-synuclein filaments from human brains with Lewy pathology.
Nature, 610, 2022
7SUR
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BU of 7sur by Molmil
Two-state solution NMR structure of Pin1 bound to peptide pCDC25c
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Born, A, Vogeli, B.
登録日2021-11-17
公開日2022-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
5N5W
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BU of 5n5w by Molmil
14-3-3 sigma in complex with TAZ pS89 peptide and fragment NV3
分子名称: 14-3-3 protein sigma, 4-[3,5-bis(chloranyl)pyridin-2-yl]oxyaniline, CALCIUM ION, ...
著者Sijbesma, E, Leysen, S, Ottmann, C.
登録日2017-02-14
公開日2017-07-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Identification of Two Secondary Ligand Binding Sites in 14-3-3 Proteins Using Fragment Screening.
Biochemistry, 56, 2017
4YOL
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BU of 4yol by Molmil
Human fibroblast growth factor-1 C16S/A66C/C117A/P134A
分子名称: CITRATE ANION, Fibroblast growth factor 1, IMIDAZOLE
著者Xia, X, Blaber, M.
登録日2015-03-11
公開日2016-03-16
最終更新日2019-02-13
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Engineering a Cysteine-Free Form of Human Fibroblast Growth Factor-1 for "Second Generation" Therapeutic Application.
J.Pharm.Sci., 105, 2016
7SUQ
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BU of 7suq by Molmil
Two-state solution NMR structure of Pin1 bound to peptide FFpSPR
分子名称: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
著者Born, A, Vogeli, B.
登録日2021-11-17
公開日2022-08-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Ligand-specific conformational change drives interdomain allostery in Pin1.
Nat Commun, 13, 2022
6P8E
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BU of 6p8e by Molmil
Crystal structure of CDK4 in complex with CyclinD1 and P27
分子名称: Cyclin-dependent kinase 4, Cyclin-dependent kinase inhibitor 1B, G1/S-specific cyclin-D1, ...
著者Guiley, K.Z, Stevenson, J.W, Lou, K, Barkovich, K.J, Bunch, K, Tripathi, S.M, Shokat, K.M, Rubin, S.M.
登録日2019-06-07
公開日2019-12-25
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献p27 allosterically activates cyclin-dependent kinase 4 and antagonizes palbociclib inhibition.
Science, 366, 2019

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