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6E2O
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BU of 6e2o by Molmil
ASK1 kinase domain complex with inhibitor
分子名称: 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide, Mitogen-activated protein kinase kinase kinase 5
著者Lansdon, E.B.
登録日2018-07-11
公開日2018-09-19
最終更新日2018-10-17
実験手法X-RAY DIFFRACTION (2.389 Å)
主引用文献ASK1 contributes to fibrosis and dysfunction in models of kidney disease.
J. Clin. Invest., 128, 2018
7O4B
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BU of 7o4b by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with penicillin G
分子名称: CITRIC ACID, OPEN FORM - PENICILLIN G, Penicillin-binding protein 1, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-04-05
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.593 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
7OK9
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BU of 7ok9 by Molmil
Crystal structure of Penicillin-Binding Protein 1 (PBP1) from Staphylococcus aureus in complex with pentaglycine
分子名称: CADMIUM ION, CHLORIDE ION, Penicillin-binding protein 1, ...
著者Martinez Caballero, S, Hermoso, J.A.
登録日2021-05-17
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (3.36 Å)
主引用文献Integrative structural biology of the penicillin-binding protein-1 from Staphylococcus aureus , an essential component of the divisome machinery.
Comput Struct Biotechnol J, 19, 2021
6XTW
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BU of 6xtw by Molmil
HumRadA33F in complex with peptidic inhibitor 6
分子名称: DNA repair and recombination protein RadA, SULFATE ION, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-16
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
4Y4V
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BU of 4y4v by Molmil
Structure of Helicobacter pylori Csd6 in the D-Ala-bound state
分子名称: Conserved hypothetical secreted protein, D-ALANINE, GLYCEROL
著者Kim, H.S, Im, H.N, Yoon, H.J, Suh, S.W.
登録日2015-02-11
公開日2015-09-02
最終更新日2022-03-23
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献The Cell Shape-determining Csd6 Protein from Helicobacter pylori Constitutes a New Family of l,d-Carboxypeptidase
J.Biol.Chem., 290, 2015
6Z3C
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BU of 6z3c by Molmil
High resolution structure of RgNanOx
分子名称: CITRATE ANION, Gfo/Idh/MocA family oxidoreductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Naismith, J.H, Lee, M.O.
登録日2020-05-19
公開日2020-06-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Uncovering a novel molecular mechanism for scavenging sialic acids in bacteria.
J.Biol.Chem., 295, 2020
7QAJ
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BU of 7qaj by Molmil
ZK002 with Anti-angiogenic and Anti-inflamamtory Properties
分子名称: SULFATE ION, Snaclec clone 2100755 alpha, Snaclec clone 2100755 beta
著者Wong, W.Y, Chan, B.D, Muk Lan Lee, M, Dai, X, Tsim, K.W.K, Hsiao, W.L.W, Li, M, Li, X.Y, Tai, W.C.S.
登録日2021-11-17
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Isolation and characterization of ZK002, a novel dual function snake venom protein from Deinagkistrodon acutus with anti-angiogenic and anti-inflammatory properties.
Front Pharmacol, 14, 2023
6LAG
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BU of 6lag by Molmil
Solution structure of SPA-2 SHD
分子名称: Spa2-like protein
著者Fan, J.S, Wong, J.Y, Zheng, P, Yang, D, Jedd, G.
登録日2019-11-12
公開日2020-04-29
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Spitzenkorper assembly mechanisms reveal conserved features of fungal and metazoan polarity scaffolds.
Nat Commun, 11, 2020
6TW3
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BU of 6tw3 by Molmil
HumRadA2 in complex with Naphthyl-HPA fragment-peptide chimera
分子名称: (2~{S})-1-[(2~{S})-2-[(3-azanylnaphthalen-2-yl)carbonylamino]-3-(1~{H}-imidazol-4-yl)propanoyl]-~{N}-[(2~{S})-1-azanyl-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxamide, DNA repair and recombination protein RadA, PHOSPHATE ION
著者Marsh, M.E, Fischer, G, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.352 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW9
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HumRadA22F in complex with CAM833
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Fischer, G, Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
6TW4
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BU of 6tw4 by Molmil
HumRadA22F in complex with compound 6
分子名称: CALCIUM ION, DNA repair and recombination protein RadA, ~{N}-[2-[(2~{S})-2-[[(1~{S})-1-(4-methoxyphenyl)ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxidanylidene-ethyl]quinoline-2-carboxamide
著者Marsh, M.E, Scott, D.E, Coyne, A.G, Skidmore, J, Abell, C, Hyvonen, M.
登録日2020-01-12
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
5KUC
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BU of 5kuc by Molmil
Crystal structure of trypsin activated Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Hey, T, Chikwana, V.M, Narva, K.E.
登録日2016-07-13
公開日2016-08-03
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
5KUD
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BU of 5kud by Molmil
Crystal structure of full length Cry6Aa
分子名称: Pesticidal crystal protein Cry6Aa
著者Kelker, M.S, Xu, X, Lee, M, Chan, M, Hung, S, Dementiev, K, Chikwana, V.M, Hey, T, Narva, K.
登録日2016-07-13
公開日2016-08-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The pesticidal Cry6Aa toxin from Bacillus thuringiensis is structurally similar to HlyE-family alpha pore-forming toxins.
Bmc Biol., 14, 2016
6TV3
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BU of 6tv3 by Molmil
HumRadA1 in complex with 3-amino-2-naphthoic acid
分子名称: 3-azanylnaphthalene-2-carboxylic acid, DNA repair and recombination protein RadA, GLYCEROL, ...
著者Marsh, M.E, Hyvonen, M.
登録日2020-01-08
公開日2021-01-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A small-molecule inhibitor of the BRCA2-RAD51 interaction modulates RAD51 assembly and potentiates DNA damage-induced cell death.
Cell Chem Biol, 28, 2021
3TD5
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BU of 3td5 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala
分子名称: CHLORIDE ION, Outer membrane protein omp38, peptide(L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala)
著者Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
登録日2011-08-10
公開日2011-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD4
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BU of 3td4 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with diaminopimelate
分子名称: 2,6-DIAMINOPIMELIC ACID, Outer membrane protein omp38
著者Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
登録日2011-08-10
公開日2011-10-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD3
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BU of 3td3 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with glycine
分子名称: GLYCINE, Outer membrane protein omp38
著者Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
登録日2011-08-10
公開日2011-10-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
5XJG
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BU of 5xjg by Molmil
Crystal structure of Vac8p bound to Nvj1p
分子名称: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Nucleus-vacuole junction protein 1, ...
著者Jeong, H, Park, J, Jun, Y, Lee, C.
登録日2017-05-01
公開日2017-06-07
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Mechanistic insight into the nucleus-vacuole junction based on the Vac8p-Nvj1p crystal structure.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4PD5
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BU of 4pd5 by Molmil
Crystal structure of vcCNT-7C8C bound to gemcitabine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, GEMCITABINE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.906 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PDA
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BU of 4pda by Molmil
Structure of vcCNT-7C8C bound to cytidine
分子名称: 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.608 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB2
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BU of 4pb2 by Molmil
Structure of vcCNT-7C8C bound to 5-fluorouridine
分子名称: 5-FLUOROURIDINE, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-11
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.302 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD7
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BU of 4pd7 by Molmil
Structure of vcCNT bound to zebularine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.909 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD6
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BU of 4pd6 by Molmil
Crystal structure of vcCNT-7C8C bound to uridine
分子名称: DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, SODIUM ION, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PD8
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BU of 4pd8 by Molmil
Structure of vcCNT-7C8C bound to pyrrolo-cytidine
分子名称: 6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-17
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014
4PB1
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Structure of vcCNT-7C8C bound to ribavirin
分子名称: 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide, DECYL-BETA-D-MALTOPYRANOSIDE, NupC family protein, ...
著者Johnson, Z.L, Lee, S.-Y.
登録日2014-04-11
公開日2014-08-13
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献Structural basis of nucleoside and nucleoside drug selectivity by concentrative nucleoside transporters.
Elife, 3, 2014

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