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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
3TRX
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BU of 3trx by Molmil
HIGH-RESOLUTION THREE-DIMENSIONAL STRUCTURE OF REDUCED RECOMBINANT HUMAN THIOREDOXIN IN SOLUTION
分子名称: THIOREDOXIN
著者Forman-Kay, J.D, Clore, G.M, Gronenborn, A.M.
登録日1990-12-17
公開日1992-01-15
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献High-resolution three-dimensional structure of reduced recombinant human thioredoxin in solution.
Biochemistry, 30, 1991
5E0L
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BU of 5e0l by Molmil
LC8 - Chica (415-424) Complex
分子名称: Dynein light chain 1, cytoplasmic, Protein Chica peptide, ...
著者Clark, S.A, Barbar, E.B, Karplus, P.A.
登録日2015-09-29
公開日2015-12-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献The Anchored Flexibility Model in LC8 Motif Recognition: Insights from the Chica Complex.
Biochemistry, 55, 2016
3INK
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BU of 3ink by Molmil
UNRAVELING THE STRUCTURE OF INTERLEUKIN-2: REPLY
分子名称: INTERLEUKIN-2
著者Mckay, D.B, Brandhuber, B.J.
登録日1992-12-09
公開日1993-10-31
最終更新日2024-06-05
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Response.
Science, 257, 1992
7VF3
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BU of 7vf3 by Molmil
Plexin B1 extracellular fragment in complex with lasso-grafted PB1m7 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Plexin-B1, ...
著者Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J.
登録日2021-09-10
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
7VG7
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BU of 7vg7 by Molmil
Plexin B1 extracellular fragment in complex with lasso-grafted PB1m6A9 peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Plexin-B1, TRIETHYLENE GLYCOL, ...
著者Sugano, N.N, Hirata, K, Yamashita, K, Yamamoto, M, Arimori, T, Takagi, J.
登録日2021-09-14
公開日2022-08-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献De novo Fc-based receptor dimerizers differentially modulate PlexinB1 function.
Structure, 30, 2022
6QHL
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BU of 6qhl by Molmil
14-3-3 sigma with RelA/p65 binding site pS45
分子名称: 14-3-3 protein sigma, GLYCEROL, Transcription factor p65
著者Wolter, M, Ottmann, C.
登録日2019-01-16
公開日2020-05-13
最終更新日2020-12-30
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Selectivity via Cooperativity: Preferential Stabilization of the p65/14-3-3 Interaction with Semisynthetic Natural Products.
J.Am.Chem.Soc., 142, 2020
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
7QO3
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BU of 7qo3 by Molmil
Structure of the 26S proteasome-Ubp6 complex in the si state (Core Particle and Lid)
分子名称: 26S proteasome complex subunit SEM1, 26S proteasome regulatory subunit RPN1, 26S proteasome regulatory subunit RPN10, ...
著者Hung, K.Y.S, Klumpe, S, Eisele, M.R, Elsasser, S, Geng, T.T, Cheng, T.C, Joshi, T, Rudack, T, Sakata, E, Finley, D.
登録日2021-12-23
公開日2022-04-13
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (6.1 Å)
主引用文献Allosteric control of Ubp6 and the proteasome via a bidirectional switch.
Nat Commun, 13, 2022
6R5L
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BU of 6r5l by Molmil
Fragment AZ-006 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-[[(2~{S})-1-azanylpropan-2-yl]amino]-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-03-25
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.884 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6K1S
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BU of 6k1s by Molmil
Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase (PRMT5) Inhibitors
分子名称: 1,2-ETHANEDIOL, 2-[[7-[(2~{R},3~{R},4~{S},5~{R})-5-[(~{R})-(4-chlorophenyl)-oxidanyl-methyl]-3,4-bis(oxidanyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-yl]amino]ethanal, DIMETHYL SULFOXIDE, ...
著者Tong, S, Lin, H.
登録日2019-05-12
公開日2019-06-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Discovery of Potent and Selective Covalent Protein Arginine Methyltransferase 5 (PRMT5) Inhibitors.
Acs Med.Chem.Lett., 10, 2019
6RK8
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BU of 6rk8 by Molmil
Fragment AZ-014 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(3-azanyl-4-methyl-pyrazol-1-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL3
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BU of 6rl3 by Molmil
Fragment AZ-003 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-azanyl-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL6
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BU of 6rl6 by Molmil
Fragment AZ-024 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, CHLORIDE ION, Cellular tumor antigen p53, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RLZ
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BU of 6rlz by Molmil
Crystal Structure of 14-3-3zeta in complex with a macrocyclic 8-mer peptide derived from ExoS
分子名称: 14-3-3 protein zeta/delta, EtMe
著者Wallraven, K, Grossmann, T.N, Hennig, S.
登録日2019-05-03
公開日2020-03-18
最終更新日2020-03-25
実験手法X-RAY DIFFRACTION (3.7 Å)
主引用文献Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility.
Chem Sci, 11, 2020
6RM7
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BU of 6rm7 by Molmil
Fragment AZ-026 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[3-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Somsen, B, Wolter, M, Guillory, X, Genet, S, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RLQ
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BU of 6rlq by Molmil
CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
分子名称: (1~{S},2~{R},3~{S},5~{R})-3-[2-(2-azanyl-3-bromanyl-quinolin-7-yl)ethyl]-5-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)cyclop entane-1,2-diol, Methylosome protein 50, Protein arginine N-methyltransferase 5
著者Brown, D.G, Robinson, C.M, Pande, V.
登録日2019-05-02
公開日2020-07-15
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献CRYSTAL STRUCTURE OF THE HUMAN PRMT5:MEP50 COMPLEX with JNJ45031882
To Be Published
6RKK
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BU of 6rkk by Molmil
Fragment AZ-021 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-(phenylmethyl)thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWI
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BU of 6rwi by Molmil
Fragment AZ-002 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-phenylthiophene-2-carboximidamide, CALCIUM ION, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-05
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RWS
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BU of 6rws by Molmil
Fragment AZ-009 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide, Cellular tumor antigen p53, ...
著者Leysen, S, Guillory, X, Wolter, M, Genet, S, Somsen, B, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-06-06
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
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
6RJZ
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BU of 6rjz by Molmil
Fragment AZ-015 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 7-(6-azanylpyridin-2-yl)-1-benzothiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-29
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKI
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BU of 6rki by Molmil
Fragment AZ-023 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[(3-aminophenyl)amino]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RKM
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BU of 6rkm by Molmil
Fragment AZ-022 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 4-phenyl-5-phenylazanyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-04-30
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020
6RL4
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BU of 6rl4 by Molmil
Fragment AZ-025 binding at the p53pT387/14-3-3 sigma interface
分子名称: 14-3-3 protein sigma, 5-[1-(2-azanylethyl)imidazol-4-yl]-4-phenyl-thiophene-2-carboximidamide, CHLORIDE ION, ...
著者Genet, S, Wolter, M, Guillory, X, Somsen, B, Leysen, S, Patel, J, Castaldi, P, Ottmann, C.
登録日2019-05-01
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Fragment-based Differential Targeting of PPI Stabilizer Interfaces.
J.Med.Chem., 63, 2020

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