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5IZU
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BU of 5izu by Molmil
A new binding site outside the canonical PDZ domain determines the specific interaction between Shank and SAPAP and their function
分子名称: SH3 and multiple ankyrin repeat domains protein 3, peptide from Disks large-associated protein 3
著者Shang, Y, Zeng, M, Zhang, M.
登録日2016-03-26
公開日2016-05-18
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.494 Å)
主引用文献A binding site outside the canonical PDZ domain determines the specific interaction between Shank and SAPAP and their function
Proc.Natl.Acad.Sci.USA, 113, 2016
5IWZ
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BU of 5iwz by Molmil
Synaptonemal complex protein
分子名称: Synaptonemal complex protein 2
著者Feng, J, Fu, S, Cao, X, Wu, H, Lu, J, Zeng, M, Liu, L, Yang, X, Shen, Y.
登録日2016-03-23
公開日2017-03-29
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.098 Å)
主引用文献Structure of synaptonemal complexes protein at 2.6 angstroms resolution
To Be Published
7D5Z
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BU of 7d5z by Molmil
Crystal structure of EBV gH/gL bound with neutralizing antibody 1D8
分子名称: Envelope glycoprotein H, Envelope glycoprotein L, heavy chain of 1D8, ...
著者Zhu, Q, Shan, S, Yu, J, Wang, X, Zhang, L, Zeng, M.
登録日2020-09-28
公開日2021-10-20
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献A Neutralizing Antibody Targeting a New Site of Vulnerability on Epstein-Barr Virus gH/gL Protects against Dual-Tropic Infection
To Be Published
5T35
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BU of 5t35 by Molmil
The PROTAC MZ1 in complex with the second bromodomain of Brd4 and pVHL:ElonginC:ElonginB
分子名称: (2~{S},4~{R})-1-[(2~{S})-2-[2-[2-[2-[2-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]ethoxy]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-2,3-dihydro-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide, Bromodomain-containing protein 4, Transcription elongation factor B polypeptide 1, ...
著者Gadd, M.S, Zengerle, M, Ciulli, A.
登録日2016-08-24
公開日2017-03-08
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of PROTAC cooperative recognition for selective protein degradation.
Nat. Chem. Biol., 13, 2017
5JXC
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BU of 5jxc by Molmil
SynGAP Coiled-coil trimer
分子名称: Ras/Rap GTPase-activating protein SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
5JXB
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BU of 5jxb by Molmil
PSD-95 extended PDZ3 in complex with SynGAP PBM
分子名称: Disks large homolog 4,SynGAP
著者Shang, Y, Zhang, M.
登録日2016-05-13
公開日2016-09-28
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Phase Transition in Postsynaptic Densities Underlies Formation of Synaptic Complexes and Synaptic Plasticity.
Cell, 166, 2016
5V9L
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BU of 5v9l by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.981 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
5V9O
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BU of 5v9o by Molmil
KRAS G12C inhibitor
分子名称: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Westover, K, Lu, J.
登録日2017-03-23
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Potent and Selective Covalent Quinazoline Inhibitors of KRAS G12C.
Cell Chem Biol, 24, 2017
6KMU
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BU of 6kmu by Molmil
P22/P10 complex of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMV
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BU of 6kmv by Molmil
caspase-11 C254A P22/P10 in complex with mouse GSDMD-C domain
分子名称: Caspase-4, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6WQ1
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BU of 6wq1 by Molmil
Eukaryotic LanCL2 protein
分子名称: LanC-like protein 2, ZINC ION
著者Nair, S.K, Garg, N.
登録日2020-04-28
公開日2021-05-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.295 Å)
主引用文献LanCLs add glutathione to dehydroamino acids generated at phosphorylated sites in the proteome.
Cell, 184, 2021
6KYH
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BU of 6kyh by Molmil
Crystal structure of Shank3 NTD-ANK A42K mutant in complex with HRas
分子名称: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
著者Cai, Q, Zhang, M.
登録日2019-09-18
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Shank3 Binds to and Stabilizes the Active Form of Rap1 and HRas GTPases via Its NTD-ANK Tandem with Distinct Mechanisms.
Structure, 28, 2020
6KYK
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BU of 6kyk by Molmil
Crystal structure of Shank3 NTD-ANK mutant in complex with Rap1
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, Ras-related protein Rap-1b, ...
著者Cai, Q, Zhang, M.
登録日2019-09-19
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.82 Å)
主引用文献Shank3 Binds to and Stabilizes the Active Form of Rap1 and HRas GTPases via Its NTD-ANK Tandem with Distinct Mechanisms.
Structure, 28, 2020
8KFA
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BU of 8kfa by Molmil
Cryo-EM structure of HSV-1 gB with D48 Fab complex
分子名称: D48 heavy chain, D48 light chain, Envelope glycoprotein B
著者Yang, J, Sun, C, Fang, X, Zeng, M, Liu, Z.
登録日2023-08-15
公開日2024-01-03
実験手法ELECTRON MICROSCOPY (3.04 Å)
主引用文献The structure of HSV-1 gB bound to a potent neutralizing antibody reveals a conservative antigenic domain across herpesviruses
hlife, 2023
6KN1
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BU of 6kn1 by Molmil
P20/P12 of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-02
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KN0
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BU of 6kn0 by Molmil
caspase-1 P20/P10 C285A in complex with human GSDMD-C domain
分子名称: Caspase-1, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-02
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.793 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMT
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BU of 6kmt by Molmil
P32 of caspase-11 mutant C254A
分子名称: Caspase-4
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
6KMZ
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BU of 6kmz by Molmil
caspase-4 P22/P10 C258A in complex with human GSDMD-C domain
分子名称: Caspase-4, Gasdermin-D
著者Ding, J, Sun, Q.
登録日2019-08-01
公開日2020-03-11
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.61 Å)
主引用文献Structural Mechanism for GSDMD Targeting by Autoprocessed Caspases in Pyroptosis.
Cell, 180, 2020
5YI8
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BU of 5yi8 by Molmil
Crystal structure of drosophila Numb PTB domain and Pon peptide complex
分子名称: FORMIC ACID, Pon peptide from Partner of numb, Protein numb
著者Shan, Z, Wen, W.
登録日2017-10-03
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.001 Å)
主引用文献Basal condensation of Numb and Pon complex via phase transition during Drosophila neuroblast asymmetric division.
Nat Commun, 9, 2018
5YI7
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BU of 5yi7 by Molmil
Crystal structure of drosophila Numb PTB domain and Pon peptide complex
分子名称: GLYCEROL, Pon peptide from Partner of numb, Protein numb
著者Shan, Z, Wen, W.
登録日2017-10-03
公開日2018-04-18
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Basal condensation of Numb and Pon complex via phase transition during Drosophila neuroblast asymmetric division.
Nat Commun, 9, 2018
5V71
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BU of 5v71 by Molmil
KRAS G12C in bound to quinazoline based switch II pocket (SWIIP) binder
分子名称: 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one, GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, ...
著者Westover, K, Lu, J.
登録日2017-03-17
公開日2017-08-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.228 Å)
主引用文献KRAS G12C Drug Development: Discrimination between Switch II Pocket Configurations Using Hydrogen/Deuterium-Exchange Mass Spectrometry.
Structure, 25, 2017
8AQF
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BU of 8aqf by Molmil
CRYSTAL STRUCTURE OF HUMAN MONOGLYCERIDE LIPASE WITH COMPOUND LEI-515
分子名称: 1-[(~{R})-[2-chloranyl-4-[(2~{S},3~{S})-4-(3-chlorophenyl)-2,3-dimethyl-piperazin-1-yl]carbonyl-phenyl]sulfinyl]-3,3-bis(fluoranyl)pentan-2-one, Monoglyceride lipase
著者Jiang, M, Huizenga, M, Wirt, J, Paloczi, J, Amedi, A, van der Berg, R, Benz, J, Collin, L, Deng, H, Driever, W, Florea, B, Grether, U, Janssen, A, Heitman, L, Lam, T.W, Mohr, F, Pavlovic, A, Ruf, I, Rutjes, H, Stevens, F, van der Vliet, D, van der Wel, T, Wittwer, M, Boeckel, C, Pacher, P, Hohmann, A, van der Stelt, M.
登録日2022-08-12
公開日2023-08-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Discovery of a peripheral restricted, reversible monoacylglycerol lipase inhibitor that reduces liver injury and chemotherapy-induced neuropathy
To Be Published
5DFD
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BU of 5dfd by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound
分子名称: Bromodomain-containing protein 2, GLYCEROL, methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
5DFC
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BU of 5dfc by Molmil
Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound
分子名称: 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide, Bromodomain-containing protein 2, GLYCEROL, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016
5DFB
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BU of 5dfb by Molmil
Crystal structure of BRD2(BD2) mutant W370F in the free form
分子名称: Bromodomain-containing protein 2, GLYCEROL, NICKEL (II) ION, ...
著者Tallant, C, Baud, M, Lin-Shiao, E, Chirgadze, D.Y, Ciulli, A.
登録日2015-08-26
公開日2015-11-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献New Synthetic Routes to Triazolo-benzodiazepine Analogues: Expanding the Scope of the Bump-and-Hole Approach for Selective Bromo and Extra-Terminal (BET) Bromodomain Inhibition.
J.Med.Chem., 59, 2016

 

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