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5RP5
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BU of 5rp5 by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo48
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPA
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BU of 5rpa by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E3a
分子名称: 3-[(4E)-4-imino-5,6-dimethylfuro[2,3-d]pyrimidin-3(4H)-yl]-N,N-dimethylpropan-1-amine, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPG
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BU of 5rpg by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen H2a
分子名称: Proteinase K, SULFATE ION, TRANS-4-AMINOMETHYLCYCLOHEXANE-1-CARBOXYLIC ACID
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPJ
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BU of 5rpj by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen B12a
分子名称: 4-oxo-N-[(1S)-1-(pyridin-3-yl)ethyl]-4-(thiophen-2-yl)butanamide, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RON
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BU of 5ron by Molmil
PanDDA analysis group deposition -- Proteinase K changed state model for fragment Frag Xtal Screen E4a
分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROM
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BU of 5rom by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo45
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.07 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5ROZ
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BU of 5roz by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo41
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.14 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
5RPU
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BU of 5rpu by Molmil
PanDDA analysis group deposition -- Proteinase K crystal structure Apo67
分子名称: Proteinase K, SULFATE ION
著者Lima, G.M.A, Talibov, V, Benz, L.S, Jagudin, E, Mueller, U.
登録日2020-09-23
公開日2021-05-26
最終更新日2021-06-23
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献FragMAXapp: crystallographic fragment-screening data-analysis and project-management system.
Acta Crystallogr D Struct Biol, 77, 2021
7AGG
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BU of 7agg by Molmil
HAd7 knob in complex with 2 EC2-EC3 modules of DSG-2
分子名称: Desmoglein-2, Fiber
著者Effantin, G, Vassal-Stermann, E, Fender, P.
登録日2020-09-22
公開日2020-10-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Binding Mechanism Elucidation of the Acute Respiratory Disease Causing Agent Adenovirus of Serotype 7 to Desmoglein-2.
Viruses, 12, 2020
7AGF
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BU of 7agf by Molmil
HAd7 knob in complex with 3 EC2-EC3 modules of DSG-2
分子名称: Desmoglein-2, Fiber
著者Effantin, G, Vassal-Stermann, E, Fender, P.
登録日2020-09-22
公開日2020-10-14
最終更新日2024-05-01
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Binding Mechanism Elucidation of the Acute Respiratory Disease Causing Agent Adenovirus of Serotype 7 to Desmoglein-2.
Viruses, 12, 2020
7K7J
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BU of 7k7j by Molmil
EphB6 receptor ectodomain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Ephrin type-B receptor 6
著者Goldgur, Y, Himanen, J.
登録日2020-09-22
公開日2021-04-07
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (3.004 Å)
主引用文献Structure of the EphB6 receptor ectodomain.
Plos One, 16, 2021
7AGB
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BU of 7agb by Molmil
Protease Sapp1p from Candida parapsilosis in complex with KB70
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, Candidapepsin, ...
著者Dostal, J, Heidingsfeld, O, Brynda, J.
登録日2020-09-22
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
7AGE
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BU of 7age by Molmil
Protease Sapp1p from Candida parapsilosis in complex with KB32
分子名称: Candidapepsin, DI(HYDROXYETHYL)ETHER, Pepstatin
著者Dostal, J, Heidingsfeld, O, Brynda, J.
登録日2020-09-22
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
7AGD
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BU of 7agd by Molmil
Protease Sapp1p from Candida parapsilosis in complex with KB75
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ...
著者Dostal, J, Heidingsfeld, O, Brynda, J.
登録日2020-09-22
公開日2021-04-21
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
7AGC
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BU of 7agc by Molmil
Protease Sapp1p from Candida parapsilosis in complex with KB74
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Candidapepsin, DI(HYDROXYETHYL)ETHER, ...
著者Dostal, J, Heidingsfeld, O, Brynda, J.
登録日2020-09-22
公開日2021-04-21
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Structural determinants for subnanomolar inhibition of the secreted aspartic protease Sapp1p from Candida parapsilosis .
J Enzyme Inhib Med Chem, 36, 2021
7D43
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BU of 7d43 by Molmil
eIF2B-eIF2(aP), aPg complex
分子名称: Eukaryotic translation initiation factor 2 subunit 1, Eukaryotic translation initiation factor 2 subunit 2, Eukaryotic translation initiation factor 2 subunit 3, ...
著者Kashiwagi, K, Ito, T.
登録日2020-09-22
公開日2020-12-09
最終更新日2021-01-27
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献ISRIB Blunts the Integrated Stress Response by Allosterically Antagonising the Inhibitory Effect of Phosphorylated eIF2 on eIF2B.
Mol.Cell, 81, 2021
7AG0
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BU of 7ag0 by Molmil
Complex between the bone morphogenetic protein 2 and its antagonist Noggin
分子名称: Bone morphogenetic protein 2, GLYCEROL, Noggin
著者Robert, C, Bruck, F, Herman, R, Vandevenne, M, Filee, P, Kerff, F, Matagne, A.
登録日2020-09-21
公開日2022-04-13
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (3.104 Å)
主引用文献Structural analysis of the interaction between human cytokine BMP-2 and the antagonist Noggin reveals molecular details of cell chondrogenesis inhibition.
J.Biol.Chem., 299, 2023
7D3R
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BU of 7d3r by Molmil
FOOT AND MOUTH DISEASE VIRUS A/WH/CHA/09-BOUND THE SINGLE CHAIN FRAGME ANTIBODY R50
分子名称: A/WH/CHA/09 VP1, A/WH/CHA/09 VP2, A/WH/CHA/09 VP3, ...
著者He, Y, Lou, Z.
登録日2020-09-20
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.49 Å)
主引用文献Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3S
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BU of 7d3s by Molmil
Human SECR in complex with an engineered Gs heterotrimer
分子名称: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(s) subunit alpha isoforms short, ...
著者Fukuhara, S, Kobayashi, K, Kusakizako, T, Shihoya, W, Nureki, O.
登録日2020-09-20
公開日2020-11-04
最終更新日2020-12-30
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structure of the human secretin receptor coupled to an engineered heterotrimeric G protein.
Biochem.Biophys.Res.Commun., 533, 2020
7D3E
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BU of 7d3e by Molmil
Cryo-EM structure of human DUOX1-DUOXA1 in low-calcium state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Dual oxidase 1, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Chen, L, Wu, J.X.
登録日2020-09-19
公開日2020-12-09
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Nat Commun, 12, 2021
7D3M
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BU of 7d3m by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY R50
分子名称: O/TIBET/99 VP1, O/TIBET/99 VP2, O/TIBET/99 VP3, ...
著者He, Y, Lou, Z.
登録日2020-09-19
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.94 Å)
主引用文献Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3K
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BU of 7d3k by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY B77
分子名称: B77 VH, B77 VL, O/TIBET/99 VP1, ...
著者He, Y, Lou, Z.
登録日2020-09-19
公開日2021-04-14
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3L
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BU of 7d3l by Molmil
FOOT AND MOUTH DISEASE VIRUS O/TIBET/99-BOUND THE SINGLE CHAIN FRAGMEN ANTIBODY F145
分子名称: F145 VH, F145 VL, O/TIBET/99 VP1, ...
著者He, Y, Lou, Z.
登録日2020-09-19
公開日2021-04-14
最終更新日2021-05-12
実験手法ELECTRON MICROSCOPY (3.68 Å)
主引用文献Structures of Foot-and-mouth Disease Virus with neutralizing antibodies derived from recovered natural host reveal a mechanism for cross-serotype neutralization.
Plos Pathog., 17, 2021
7D3F
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BU of 7d3f by Molmil
Cryo-EM structure of human DUOX1-DUOXA1 in high-calcium state
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Dual oxidase 1, ...
著者Chen, L, Wu, J.X.
登録日2020-09-19
公開日2020-12-09
最終更新日2021-06-23
実験手法ELECTRON MICROSCOPY (2.3 Å)
主引用文献Structures of human dual oxidase 1 complex in low-calcium and high-calcium states.
Nat Commun, 12, 2021
7D36
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BU of 7d36 by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Nakahara, K, Mitsuoka, Y, Kasuya, S, Yamamoto, T, Yamamoto, S, Ito, H, Kido, Y, Kusakabe, K.I.
登録日2020-09-18
公開日2021-07-28
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Balancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Eur.J.Med.Chem., 216, 2021

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件を2024-07-10に公開中

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