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7OWC
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BU of 7owc by Molmil
Structure of CYLD CAP-Gly3 (467-565) bound to Ub; orthorhobic space group
分子名称: Deubiquitinating enzyme CYLD, Ubiquitin-60S ribosomal protein L40
著者Elliott, P.R, Komander, D.
登録日2021-06-17
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Regulation of CYLD activity and specificity by phosphorylation and ubiquitin-binding CAP-Gly domains.
Cell Rep, 37, 2021
7XRQ
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BU of 7xrq by Molmil
The Catalytic Core Structure of Cystathionine beta-Synthase from Candida albicans
分子名称: Cystathionine beta-synthase, PHOSPHATE ION
著者Lou, H.X, Yu, H.N, Chang, W.Q.
登録日2022-05-11
公開日2023-04-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Inhibition of fungal pathogenicity by targeting the H 2 S-synthesizing enzyme cystathionine beta-synthase.
Sci Adv, 8, 2022
7UVJ
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BU of 7uvj by Molmil
Rationally Designed ED1 Epitope-Scaffold Immunogen for SARS-CoV-2
分子名称: ACETATE ION, Apolipoprotein E, DI(HYDROXYETHYL)ETHER, ...
著者Yennawar, N.H, Vishweshwaraiah, Y.L, Dokholyan, N.V.
登録日2022-05-02
公開日2022-10-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Adaptation-proof SARS-CoV-2 vaccine design.
Adv Funct Mater, 32, 2022
6AIM
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BU of 6aim by Molmil
Cab2 mutant H337A complex with phosphopantothenate-cysteine
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl-L-cysteine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AI9
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BU of 6ai9 by Molmil
Cab2 mutant-H337A complex with phosphopantothenate
分子名称: N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6H5O
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BU of 6h5o by Molmil
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
6AI8
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BU of 6ai8 by Molmil
Cab2 mutant-H337A
分子名称: GLYCEROL, Phosphopantothenate--cysteine ligase CAB2, SULFATE ION
著者Zheng, P, Zhu, Z.
登録日2018-08-22
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
5ELQ
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BU of 5elq by Molmil
Crystal structure of the SNX27 PDZ domain bound to the C-terminal DGKzeta PDZ binding motif
分子名称: GLU-ASP-GLN-GLU-THR-ALA-VAL, Sorting nexin-27, TETRAETHYLENE GLYCOL
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-05
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
5EM9
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BU of 5em9 by Molmil
Crystal structure of the SNX27 PDZ domain bound to the phosphorylated C-terminal 5HT4(a)R PDZ binding motif
分子名称: SEP-LEU-GLU-SER-CYS-PHE, Sorting nexin-27
著者Collins, B.M, Clairfeuille, T.
登録日2015-11-06
公開日2016-09-07
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献A molecular code for endosomal recycling of phosphorylated cargos by the SNX27-retromer complex.
Nat.Struct.Mol.Biol., 23, 2016
6AIP
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BU of 6aip by Molmil
Cab2 mutant-H337A complex with phosphopantothenoylcystine
分子名称: (5R,12R,17R)-17-amino-12-carboxy-1,1,5-trihydroxy-4,4-dimethyl-6,10-dioxo-2-oxa-14,15-dithia-7,11-diaza-1-phosphaoctadecan-18-oic acid 1-oxide (non-preferred name), Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
6AIK
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BU of 6aik by Molmil
Cab2 mutant H337A complex with phosphopantothenoyl-CMP
分子名称: PHOSPHORIC ACID MONO-[3-(3-{[5-(4-AMINO-2-OXO-2H-PYRIMIDIN-1-YL)-3,4- DIHYDROXY-TETRAHYDRO-FURAN-2- YLMETHOXY]-HYDROXY-PHOSPHORYLOXY}-3-OXO-PROPYLCARBAMOYL)-3-HYDROXY-2,2- DIMETHYL-PROPYL] ESTER, Phosphopantothenate--cysteine ligase CAB2
著者Zheng, P, Zhu, Z.
登録日2018-08-24
公開日2019-03-20
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Crystallographic Analysis of the Catalytic Mechanism of Phosphopantothenoylcysteine Synthetase from Saccharomyces cerevisiae.
J. Mol. Biol., 431, 2019
3RO2
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BU of 3ro2 by Molmil
Structures of the LGN/NuMA complex
分子名称: G-protein-signaling modulator 2, GLYCEROL, peptide of Nuclear mitotic apparatus protein 1
著者Shang, Y, Wei, Z.
登録日2011-04-25
公開日2012-03-07
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献LGN/mInsc and LGN/NuMA complex structures suggest distinct functions in asymmetric cell division for the Par3/mInsc/LGN and G[alpha]i/LGN/NuMA pathways
Mol.Cell, 43, 2011
6S1F
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BU of 6s1f by Molmil
Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP3
分子名称: Receptor-interacting serine/threonine-protein kinase 2, ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
著者Pinkas, D.M, Bufton, J.C, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-06-18
公開日2019-10-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Design of 3,5-diaryl-2-aminopyridines as receptor-interacting protein kinase 2 (RIPK2) and nucleotide-binding oligomerization domain (NOD) cell signaling inhibitors
To be published
5UE8
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BU of 5ue8 by Molmil
The crystal structure of Munc13-1 C1C2BMUN domain
分子名称: CHLORIDE ION, Protein unc-13 homolog A, ZINC ION
著者Tomchick, D.R, Rizo, J, Xu, J.
登録日2016-12-29
公開日2017-02-15
最終更新日2018-03-28
実験手法X-RAY DIFFRACTION (3.35 Å)
主引用文献Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN.
Elife, 6, 2017
8SUX
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BU of 8sux by Molmil
Structure of E. coli PtuA hexamer
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Yang, X.Y, Fu, T.M.
登録日2023-05-13
公開日2024-01-10
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (2.93 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
7BNR
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BU of 7bnr by Molmil
Crystal structure of a ParB Q52A mutant from Myxococcus xanthus bound to CTPyS
分子名称: Cytosine 5'-[gamma-thio]triphosphate, GLYCEROL, MAGNESIUM ION, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
7BNK
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BU of 7bnk by Molmil
Crystal structure of ParB from Myxococcus xanthus bound to CDP and Monothiophosphate
分子名称: CYTIDINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Altegoer, F, Bange, G.
登録日2021-01-22
公開日2021-09-08
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The CTPase activity of ParB determines the size and dynamics of prokaryotic DNA partition complexes.
Mol.Cell, 81, 2021
8EE4
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BU of 8ee4 by Molmil
Structure of PtuA
分子名称: ADENOSINE-5'-TRIPHOSPHATE, PtuA
著者Shen, Z.F, Fu, T.M.
登録日2022-09-06
公開日2024-01-03
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (2.6 Å)
主引用文献PtuA and PtuB assemble into an inflammasome-like oligomer for anti-phage defense.
Nat.Struct.Mol.Biol., 31, 2024
7QT2
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BU of 7qt2 by Molmil
Antibody FenAb208 - fentanyl complex
分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT0
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BU of 7qt0 by Molmil
Antibody FenAb136 - fentanyl complex
分子名称: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT4
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BU of 7qt4 by Molmil
Antibody FenAb709 - fentanyl complex
分子名称: 2-[2-[2-[2-[[5-oxidanylidene-5-[2-[4-[phenyl(propanoyl)amino]piperidin-1-yl]ethylamino]pentanoyl]amino]ethanoylamino]ethanoylamino]ethanoylamino]ethanoic acid, Antibody heavy chain, Antibody light chain
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
7QT3
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BU of 7qt3 by Molmil
Antibody FenAb609 - fentanyl complex
分子名称: Antibody heavy chain, Antibody light chain, N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
著者Zeelen, J.P, Straaten van, M, Stebbins, C.E.
登録日2022-01-14
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A trypanosome-derived immunotherapeutics platform elicits potent high-affinity antibodies, negating the effects of the synthetic opioid fentanyl.
Cell Rep, 42, 2023
5E1E
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BU of 5e1e by Molmil
Human JAK1 kinase in complex with compound 30 at 2.30 Angstroms resolution
分子名称: 6-chloro-2-(2-fluoro-4,5-dimethoxyphenyl)-N-(piperidin-4-ylmethyl)-3H-imidazo[4,5-b]pyridin-7-amine, DI(HYDROXYETHYL)ETHER, Tyrosine-protein kinase JAK1
著者Ferguson, A.D.
登録日2015-09-29
公開日2015-11-25
最終更新日2015-12-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of azabenzimidazoles as potent JAK1 selective inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
4YGX
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BU of 4ygx by Molmil
Crystal Structure of D. melanogaster Ssu72+Symplekin bound to cis peptidomimetic CTD phospho-Ser5 peptide
分子名称: LD40846p, Symplekin, cis peptidomimetic CTD phospho-Ser5 peptide
著者Mayfield, J.E, Zhang, Y.
登録日2015-02-26
公開日2015-09-16
最終更新日2015-10-28
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Chemical Tools To Decipher Regulation of Phosphatases by Proline Isomerization on Eukaryotic RNA Polymerase II.
Acs Chem.Biol., 10, 2015
8GYD
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BU of 8gyd by Molmil
Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
分子名称: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
著者Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
登録日2022-09-22
公開日2023-08-23
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023

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件を2024-08-28に公開中

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