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8T35
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Crystal structure of K51 acetylated LC3A in complex with the LIR of TP53INP2/DOR
分子名称: 1,2-ETHANEDIOL, Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-07
公開日2024-05-22
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 20, 2024
5EOJ
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Crystal structure of an antiparallel hexamer coiled-coil - ACC-Hex-PheI
分子名称: ACC-Hex-PheI
著者Spencer, R.K, Hochbaum, A.I.
登録日2015-11-10
公開日2016-05-25
最終更新日2022-12-14
実験手法X-RAY DIFFRACTION (2.115 Å)
主引用文献X-ray Crystallographic Structure and Solution Behavior of an Antiparallel Coiled-Coil Hexamer Formed by de Novo Peptides.
Biochemistry, 55, 2016
5EZ3
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BU of 5ez3 by Molmil
Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Acyl-CoA dehydrogenase, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2015-11-26
公開日2015-12-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Crystal structure Acyl-CoA dehydrogenase from Brucella melitensis in complex with FAD
to be published
6FPL
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TETR(D) E147A MUTANT IN COMPLEX WITH TETRACYCLINE AND MAGNESIUM
分子名称: CHLORIDE ION, MAGNESIUM ION, TETRACYCLINE, ...
著者Hinrichs, W, Palm, G.J, Berndt, L, Girbardt, B.
登録日2018-02-11
公開日2019-03-13
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Thermodynamics, cooperativity and stability of the tetracycline repressor (TetR) upon tetracycline binding.
Biochim Biophys Acta Proteins Proteom, 1868, 2020
6Q4B
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CDK2 in complex with FragLite13
分子名称: 5-bromanylpyrimidine, Cyclin-dependent kinase 2
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
6Q4J
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CDK2 in complex with FragLite34
分子名称: 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE
著者Wood, D.J, Martin, M.P, Noble, M.E.M.
登録日2018-12-05
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation.
J.Med.Chem., 62, 2019
8T36
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BU of 8t36 by Molmil
Crystal structure of K49 acetylated LC3A in complex with the LIR of TP53INP2/DOR
分子名称: 1,2-ETHANEDIOL, Tumor protein p53-inducible nuclear protein 2,Microtubule-associated proteins 1A/1B light chain 3A chimera
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-07
公開日2024-05-22
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (1.852 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 20, 2024
8T31
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Crystal structure of GABARAP in complex with the LIR of TP53INP2/DOR
分子名称: Gamma-aminobutyric acid receptor-associated protein, Tumor protein p53-inducible nuclear protein 2
著者Ali, M.G.H, Wahba, H.M, Cyr, N, Omichinski, J.G.
登録日2023-06-07
公開日2024-05-22
最終更新日2024-09-11
実験手法X-RAY DIFFRACTION (2.096 Å)
主引用文献Structural and functional characterization of the role of acetylation on the interactions of the human Atg8-family proteins with the autophagy receptor TP53INP2/DOR.
Autophagy, 20, 2024
7ZD4
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BU of 7zd4 by Molmil
Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase soaked with Cu+ ions
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, ADENOSINE, Adenosylhomocysteinase, ...
著者Malecki, P.H, Gawel, M, Brzezinski, K.
登録日2022-03-29
公開日2023-04-19
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Crystal structure of Pseudomonas aeruginosa S-adenosyl-L-homocysteine hydrolase soaked with Cu+ ions
To Be Published
6FS8
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BU of 6fs8 by Molmil
Influenza B/Memphis/13/03 endonuclease with bound inhibitor, baloxavir acid (BXA)
分子名称: Baloxavir acid, MANGANESE (II) ION, Polymerase acidic protein
著者Cusack, S, Speranzini, V.
登録日2018-02-19
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Characterization of influenza virus variants induced by treatment with the endonuclease inhibitor baloxavir marboxil.
Sci Rep, 8, 2018
5EZD
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BU of 5ezd by Molmil
Crystal structure of a Hepatocyte growth factor activator inhibitor-1 (HAI-1) fragment covering the PKD-like 'internal' domain and Kunitz domain 1
分子名称: ACETATE ION, Kunitz-type protease inhibitor 1, POTASSIUM ION
著者Hong, Z, Andreasen, P.A, Morth, J.P, Jensen, J.K.
登録日2015-11-26
公開日2016-05-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of a Two-domain Fragment of Hepatocyte Growth Factor Activator Inhibitor-1: FUNCTIONAL INTERACTIONS BETWEEN THE KUNITZ-TYPE INHIBITOR DOMAIN-1 AND THE NEIGHBORING POLYCYSTIC KIDNEY DISEASE-LIKE DOMAIN.
J.Biol.Chem., 291, 2016
4TRM
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BU of 4trm by Molmil
Structure of the apo form of InhA from Mycobacterium tuberculosis
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Enoyl-[acyl-carrier-protein] reductase [NADH]
著者Chollet, A, Julien, S, Mourey, L, Maveyraud, L.
登録日2014-06-17
公開日2015-04-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structure of the enoyl-ACP reductase of Mycobacterium tuberculosis (InhA) in the apo-form and in complex with the active metabolite of isoniazid pre-formed by a biomimetic approach.
J.Struct.Biol., 190, 2015
6M2F
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BU of 6m2f by Molmil
Sirohydrochlorin nickelochelatase CfbA in complex with nickel-sirohydrochlorin
分子名称: Sirohydrochlorin cobaltochelatase, nickel-sirohydrochlorin
著者Fujishiro, T.
登録日2020-02-27
公開日2021-01-13
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The nickel-sirohydrochlorin formation mechanism of the ancestral class II chelatase CfbA in coenzyme F430 biosynthesis.
Chem Sci, 12, 2021
6FVI
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BU of 6fvi by Molmil
ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
分子名称: CHLORIDE ION, Centrosomal protein of 192 kDa
著者Kovalevskiy, O.V, van Breugel, M.
登録日2018-03-02
公開日2019-03-20
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献ASH / PapD-like domain of human CEP192 (PapD-like domain 7)
To Be Published
6MAR
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BU of 6mar by Molmil
HIV-1 Envelope Glycoprotein Clone BG505 delCT N332T in complex with broadly neutralizing antibody Fab PGT151
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, Envelope glycoprotein gp160, ...
著者Berndsen, Z.T, Ward, A.B.
登録日2018-08-28
公開日2018-09-26
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Differential processing of HIV envelope glycans on the virus and soluble recombinant trimer.
Nat Commun, 9, 2018
6FR4
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003 TCR Study of CDR Loop Flexibility
分子名称: 1,2-ETHANEDIOL, ACETATE ION, GLYCEROL, ...
著者Rizkallah, P.J, Cole, D.K.
登録日2018-02-15
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献In Silicoand Structural Analyses Demonstrate That Intrinsic Protein Motions Guide T Cell Receptor Complementarity Determining Region Loop Flexibility.
Front Immunol, 9, 2018
5F07
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BU of 5f07 by Molmil
Crystal structure of glutathione transferase F8 from Populus trichocarpa
分子名称: GLUTATHIONE, Putative glutathione S-transferase family protein
著者Didierjean, C, Rouhier, N, Pegeot, H, Gense, F.
登録日2015-11-27
公開日2016-12-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural plasticity among glutathione transferase Phi members: natural combination of catalytic residues confers dual biochemical activities.
FEBS J., 284, 2017
8TC5
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BU of 8tc5 by Molmil
Cryo-EM Structure of Spike Glycoprotein from Civet Coronavirus SZ3 in Closed Conformation
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bostina, M, Hills, F.R, Eruera, A.
登録日2023-06-29
公開日2024-05-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (2.11 Å)
主引用文献Variation in structural motifs within SARS-related coronavirus spike proteins.
Plos Pathog., 20, 2024
7YTY
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BU of 7yty by Molmil
Mouse SVCT1 in an apo state
分子名称: Solute carrier family 23 member 1
著者She, J, Wang, M, He, J, Zhang, K, Li, S.
登録日2022-08-16
公開日2023-05-03
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis of vitamin C recognition and transport by mammalian SVCT1 transporter.
Nat Commun, 14, 2023
8WDM
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BU of 8wdm by Molmil
Crystal structure of a novel PU plastic degradation enzyme from Thermaerobacter marianensis
分子名称: Carboxylic ester hydrolase
著者Li, Z.S, Wang, H, Gao, J, Chen, Y.Y, Wei, H.L, Li, Q, Han, X, Wei, R, Liu, W.D.
登録日2023-09-15
公開日2024-09-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of a novel PU plastic degradation enzyme from Thermaerobacter marianensis
To Be Published
8XGK
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BU of 8xgk by Molmil
Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Ihhibitors
分子名称: (2~{R},3~{S})-3-[[(2~{S})-2-(4-chlorophenyl)-2-fluoranyl-ethanoyl]amino]-3-[3-(2-cyano-2-methyl-propoxy)-4-methyl-phenyl]-2-methyl-propanoic acid, ACETATE ION, Kelch-like ECH-associated protein 1, ...
著者Otake, K, Hara, Y, Ubukata, M, Inoue, M, Nagahashi, N, Motoda, D, Ogawa, N, Hantani, Y, Hantani, R, Adachi, T, Nomura, A, Yamaguchi, K, Maekawa, M, Mamada, H, Motomura, T, Sato, M, Harada, K.
登録日2023-12-15
公開日2024-05-22
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Optimization Efforts for Identification of Novel Highly Potent Keap1-Nrf2 Protein-Protein Interaction Inhibitors.
J.Med.Chem., 67, 2024
4RKE
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BU of 4rke by Molmil
Drosophila melanogaster Rab2 bound to GMPPNP
分子名称: GH01619p, MAGNESIUM ION, PENTAETHYLENE GLYCOL, ...
著者Lardong, J.A, Driller, J.H, Depner, H, Weise, C, Petzoldt, A, Wahl, M.C, Sigrist, S.J, Loll, B.
登録日2014-10-13
公開日2014-12-10
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.0006 Å)
主引用文献Structures of Drosophila melanogaster Rab2 and Rab3 bound to GMPPNP.
Acta Crystallogr F Struct Biol Commun, 71, 2015
6M95
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Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
7ZED
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BU of 7zed by Molmil
Solution structure of thanatin-like derivative 7 in complex with E.coli LptA mutant Q62L
分子名称: Lipopolysaccharide export system protein LptA, Thanatin-like derivative
著者Moehle, K, Zerbe, O.
登録日2022-03-31
公開日2023-06-07
最終更新日2023-11-15
実験手法SOLUTION NMR
主引用文献Peptidomimetic antibiotics disrupt the lipopolysaccharide transport bridge of drug-resistant Enterobacteriaceae.
Sci Adv, 9, 2023
6FYB
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BU of 6fyb by Molmil
The crystal structure of EncM L144M mutant
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Putative FAD-dependent oxygenase EncM
著者Saleem-Batcha, R, Teufel, R.
登録日2018-03-11
公開日2018-05-02
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.882 Å)
主引用文献Enzymatic control of dioxygen binding and functionalization of the flavin cofactor.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018

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件を2024-10-02に公開中

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