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7AEU
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BU of 7aeu by Molmil
Pressure wave-exposed human hemoglobin: probe only data (5500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.54 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AET
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BU of 7aet by Molmil
Pressure wave-exposed human hemoglobin: probe only data (3500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEV
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BU of 7aev by Molmil
Pressure wave-exposed human hemoglobin: pump/probe data (3500 indexed images)
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Barends, T.R.M, Schlichting, I.
登録日2020-09-18
公開日2021-02-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Effect of X-ray free-electron laser-induced shockwaves on haemoglobin microcrystals delivered in a liquid jet.
Nat Commun, 12, 2021
7AEP
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BU of 7aep by Molmil
Solution structure of U1-A RRM2 (190-282)
分子名称: U1 small nuclear ribonucleoprotein A
著者Campagne, S, Allain, F.H.
登録日2020-09-18
公開日2021-02-03
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献An in vitro reconstituted U1 snRNP allows the study of the disordered regions of the particle and the interactions with proteins and ligands.
Nucleic Acids Res., 49, 2021
7AEL
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BU of 7ael by Molmil
alpha 1-antitrypsin (C232S) complexed with GSK716
分子名称: Alpha-1-antitrypsin, SULFATE ION, ~{N}-[(1~{S},2~{R})-1-(3-fluoranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
著者Chung, C.
登録日2020-09-17
公開日2021-03-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Development of a small molecule that corrects misfolding and increases secretion of Z alpha 1 -antitrypsin.
Embo Mol Med, 13, 2021
7D2X
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BU of 7d2x by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(4R)-2-amino-4-(prop-1-yn-1-yl)-5,6-dihydro-4H-1,3-oxazin-4-yl]-4-fluorophenyl}-5-cyanopyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D2V
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BU of 7d2v by Molmil
Crystal Structure of BACE1 in complex with N-{3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-5,6-dihydro-2H-1lambda6,2,4-thiadiazin-5-yl]-4-fluorophenyl}-5-fluoropyridine-2-carboxamide
分子名称: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
著者Fujimoto, K, Yoshida, S, Tadano, G, Asada, N, Fuchino, K, Suzuki, S, Matsuoka, E, Yamamoto, T, Yamamoto, S, Ando, S, Kanegawa, N, Tonomura, Y, Ito, H, Moechars, D, Rombouts, F.J.R, Gijsen, H.J.M, Kusakabe, K.I.
登録日2020-09-17
公開日2021-03-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure-Based Approaches to Improving Selectivity through Utilizing Explicit Water Molecules: Discovery of Selective beta-Secretase (BACE1) Inhibitors over BACE2.
J.Med.Chem., 64, 2021
7D2Y
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BU of 7d2y by Molmil
complex of two RRM domains
分子名称: Embryonic developmental protein tofu-6, RRM2, SULFATE ION
著者Wang, X, Liao, S, Xu, C.
登録日2020-09-17
公開日2021-08-25
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献Molecular basis for PICS-mediated piRNA biogenesis and cell division.
Nat Commun, 12, 2021
7ADX
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BU of 7adx by Molmil
SFX structure of dehaloperoxidase B in the oxyferrous form
分子名称: Dehaloperoxidase B, OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Moreno Chicano, T, Ebrahim, A, Worrall, J.W, Axford, D.A, Owada, S, Tosha, T, Sugimoto, H, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2020-09-16
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献SFX structure of dehaloperoxidase B from Amphitrite ornata in the oxyferrous form
To Be Published
7K58
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BU of 7k58 by Molmil
Structure of outer-arm dyneins bound to microtubule with microtubule binding state 1(MTBS-1)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Qinhui, R, Kai, Z.
登録日2020-09-16
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7K5B
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BU of 7k5b by Molmil
Structure of outer-arm dynein bound to microtubule doublet in microtubule binding state 2 (MTBS-2)
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Dynein heavy chain, ...
著者Rao, Q, Zhang, K.
登録日2020-09-16
公開日2021-09-29
最終更新日2021-10-20
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structures of outer-arm dynein array on microtubule doublet reveal a motor coordination mechanism.
Nat.Struct.Mol.Biol., 28, 2021
7K59
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BU of 7k59 by Molmil
Structure of apo VCP hexamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (4.2 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K56
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BU of 7k56 by Molmil
Structure of VCP dodecamer purified from H1299 cells
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7K57
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BU of 7k57 by Molmil
Structure of apo VCP dodecamer generated from bacterially recombinant VCP/p97
分子名称: Transitional endoplasmic reticulum ATPase
著者Yu, G, Bai, Y, Li, K, Jiang, W, Zhang, Z.Y.
登録日2020-09-16
公開日2021-10-13
最終更新日2024-05-29
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-electron microscopy structures of VCP/p97 reveal a new mechanism of oligomerization regulation.
Iscience, 24, 2021
7ADQ
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BU of 7adq by Molmil
Serial Laue crystallography structure of dehaloperoxidase B from Amphitrite ornata
分子名称: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Moreno-Chicano, T.M, Ebrahim, A.E, Srajer, V, Henning, R.W, Doak, B.C, Trebbin, M, Monteiro, D.C.F, Hough, M.A.
登録日2020-09-15
公開日2021-11-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Complementarity of neutron, XFEL and synchrotron crystallography for defining the structures of metalloenzymes at room temperature.
Iucrj, 9, 2022
7K4M
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BU of 7k4m by Molmil
Crystal structure of MetAP2 Modified Hemoglobin S
分子名称: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
著者Musayev, F.N, Safo, M.K, Light, D.R.
登録日2020-09-15
公開日2021-10-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献MetAP2 inhibition modifies hemoglobin S to delay polymerization and improves blood flow in sickle cell disease.
Blood Adv, 5, 2021
7K4F
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BU of 7k4f by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 31
分子名称: 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.75 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4D
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BU of 7k4d by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 3OG
分子名称: 5-[(4-{trans-4-hydroxy-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.66 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4B
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BU of 7k4b by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor cis-22a
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-[cis-4-(3-methylphenyl)cyclohexyl]-4-(pyridin-3-yl)piperazine, CALCIUM ION, ...
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4C
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BU of 7k4c by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor Br-cis-22a
分子名称: 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.78 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4E
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BU of 7k4e by Molmil
Cryo-EM structure of human TRPV6 in complex with (4- phenylcyclohexyl)piperazine inhibitor 30
分子名称: 5-({4-[(1R,4S)-3'-methyl[1,2,3,4-tetrahydro[1,1'-biphenyl]]-4-yl]piperazin-1-yl}methyl)pyridin-2(1H)-one, Transient receptor potential cation channel subfamily V member 6
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.34 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7K4A
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BU of 7k4a by Molmil
Cryo-EM structure of human TRPV6 in the open state
分子名称: 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CALCIUM ION, CHOLESTEROL HEMISUCCINATE, ...
著者Neuberger, A, Nadezhdin, K.D, Singh, A.K, Sobolevsky, A.I.
登録日2020-09-15
公開日2020-12-09
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.26 Å)
主引用文献Inactivation-mimicking block of the epithelial calcium channel TRPV6.
Sci Adv, 6, 2020
7ADF
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BU of 7adf by Molmil
SFX structure of dehaloperoxidase B in the ferric form
分子名称: Dehaloperoxidase B, PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION
著者Moreno Chicano, T, Ebrahim, A.E, Axford, D.A, Sherrell, D.A, Sugimoto, H, Tono, K, Owada, S, Worrall, J.W, Strange, R.W, Owen, R.L, Hough, M.A.
登録日2020-09-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献SFX structure of dehaloperoxidase B in the ferric form
to be published
7ADG
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BU of 7adg by Molmil
Cocktail experiment G: fragments 216 and 338 at 90 mM concentration in complex with Endothiapepsin
分子名称: 2-(1H-imidazol-1-yl)-N-(trans-4-methylcyclohexyl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Hassaan, E, Klebe, G, Heine, A, Schiebel, J, Koester, H.
登録日2020-09-14
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.0794636 Å)
主引用文献Comparison of Cocktail Screening in X-Ray Crystallography vs NMR
To Be Published
7AD9
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BU of 7ad9 by Molmil
Structure of the Lifeact-F-actin complex
分子名称: ADENOSINE-5'-DIPHOSPHATE, Actin, alpha skeletal muscle, ...
著者Belyy, A, Merino, F, Sitsel, O, Raunser, S.
登録日2020-09-14
公開日2020-10-28
最終更新日2020-12-02
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the Lifeact-F-actin complex.
Plos Biol., 18, 2020

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件を2024-07-10に公開中

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