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8OXC
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BU of 8oxc by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E2-Pi conformation with occluded PI
分子名称: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.58 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX4
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BU of 8ox4 by Molmil
Cryo-EM structure of ATP8B1-CDC50A in E1-ATP conformation
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cell cycle control protein 50A, MAGNESIUM ION, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OX9
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Cryo-EM structure of ATP8B1-CDC50A in E2P active conformation with bound PC
分子名称: (2R)-3-{[(R)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane -1,2-diyl dioctanoate, (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Dieudonne, T, Kummerer, F, Juknaviciute Laursen, M, Stock, C, Kock Flygaard, R, Khalid, S, Lenoir, G, Lyons, J.A, Lindorff-Larsen, K, Nissen, P.
登録日2023-05-01
公開日2023-11-29
実験手法ELECTRON MICROSCOPY (2.72 Å)
主引用文献Activation and substrate specificity of the human P4-ATPase ATP8B1.
Nat Commun, 14, 2023
8OVF
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BU of 8ovf by Molmil
Human Mitochondrial Lon Y186F Mutant ADP Bound
分子名称: ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (7.23 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8OVG
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BU of 8ovg by Molmil
Human Mitochondrial Lon Y186E Mutant ADP Bound
分子名称: Lon protease homolog, mitochondrial
著者Kereiche, S, Bauer, J.A, Matyas, P, Novacek, J, Kutejova, E.
登録日2023-04-26
公開日2024-05-08
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (8.47 Å)
主引用文献Polyphosphate and tyrosine phosphorylation in the N-terminal domain of the human mitochondrial Lon protease disrupts its functions.
Sci Rep, 14, 2024
8PI2
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BU of 8pi2 by Molmil
Native alpha-1-antitrypsin at 1.5 Angstrom (Cys232Ser)
分子名称: 1,2-ETHANEDIOL, Alpha-1-antitrypsin, DIMETHYL SULFOXIDE, ...
著者Wang, M, Irving, J.A.
登録日2023-06-20
公開日2023-07-05
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural determinants of instability in alpha-1-antitrypsin
To Be Published
8PAJ
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BU of 8paj by Molmil
Crystal Structure of a Squalene-Hopene cyclase from Archangium gephyra
分子名称: 1,2-ETHANEDIOL, 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, ...
著者Worthy, H.L, Isupov, M.N, Littlechild, J.A, Mitchell, D.E.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structure of a mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
8PAK
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Crystal Structure of a Squalene-Hopene Cyclase from Cystobacter fuscus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, ...
著者Worthy, H.L, Mitchell, D.E, Isupov, M.N, Littlechild, J.A.
登録日2023-06-08
公開日2024-06-26
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structure of Mesophilic Squalene-Hopene Cyclases from Cystobacter fuscus and Archangium gephyra
To Be Published
8OR4
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BU of 8or4 by Molmil
Partially dissociated CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-13
公開日2023-06-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8OR3
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BU of 8or3 by Molmil
CAND1-CUL1-RBX1-SKP1-SKP2-DCNL1
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-13
公開日2023-06-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (2.9 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8OR0
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BU of 8or0 by Molmil
CAND1-CUL1-RBX1-SKP1-SKP2-CKS1-CDK2
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, Cyclin-dependent kinase 2, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-12
公開日2023-06-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8OR2
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BU of 8or2 by Molmil
CAND1-CUL1-RBX1-DCNL1
分子名称: Cullin-1, Cullin-associated NEDD8-dissociated protein 1, DCN1-like protein 1, ...
著者Shaaban, M, Clapperton, J.A, Ding, S, Maeots, M.E, Enchev, R.I.
登録日2023-04-12
公開日2023-06-28
最終更新日2024-07-24
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献Structural and mechanistic insights into the CAND1-mediated SCF substrate receptor exchange.
Mol.Cell, 83, 2023
8Q1Z
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BU of 8q1z by Molmil
Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
分子名称: 2-[4-[[4-[(3-~{tert}-butyl-1~{H}-pyrazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]ethanenitrile, Serine/threonine-protein kinase VRK2
著者Wang, G.Q, Amrhein, J.A, Knapp, S.
登録日2023-08-01
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Human Vaccinia-related kinase 2 (VRK-2) bound to JA-296
To Be Published
6I59
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BU of 6i59 by Molmil
Long wavelength native-SAD phasing of Sen1 helicase
分子名称: 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
著者Basu, S, Olieric, V, Matsugaki, N, Kawano, Y, Takashi, T, Huang, C.Y, Leonarski, F, Yamada, Y, Vera, L, Olieric, N, Basquin, J, Wojdyla, J.A, Diederichs, K, Yamamoto, M, Bunk, O, Wang, M.
登録日2018-11-13
公開日2019-03-13
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Long-wavelength native-SAD phasing: opportunities and challenges.
Iucrj, 6, 2019
8P4U
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BU of 8p4u by Molmil
Alpha-1-antitrypsin - Sydney variant (G192C)
分子名称: Alpha-1-antitrypsin
著者Kamuda, K, Lomas, D.A, Irving, J.A.
登録日2023-05-23
公開日2024-04-03
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
8P4J
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BU of 8p4j by Molmil
Alpha-1-antitrypsin - Sydney variant (G192C)
分子名称: Alpha-1-antitrypsin
著者Kamuda, K, Lomas, D.A, Irving, J.A.
登録日2023-05-22
公開日2024-04-03
最終更新日2024-07-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
8QLQ
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BU of 8qlq by Molmil
Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor
著者Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
登録日2023-09-20
公開日2023-11-08
最終更新日2024-05-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
6QDB
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BU of 6qdb by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000081
分子名称: 3-[methyl-[2-[methyl(piperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDA
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BU of 6qda by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000811
分子名称: 3-[methyl-[2-[methyl-(1-methylpiperidin-4-yl)amino]quinazolin-4-yl]amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDG
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BU of 6qdg by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000169
分子名称: 3-[[6-bromanyl-2-[3-(dimethylamino)propyl-methyl-amino]quinazolin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QD9
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BU of 6qd9 by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000065
分子名称: 3-[[2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDH
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BU of 6qdh by Molmil
Leishmania major N-myristoyltransferase in complex with quinazoline inhibitor IMP-0000906
分子名称: 4-[ethyl(methyl)amino]-2-[methyl-(1-methylpiperidin-4-yl)amino]-~{N}-(1,3,5-trimethylpyrazol-4-yl)quinazoline-6-sulfonamide, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDE
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BU of 6qde by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000877
分子名称: 3-[[6-~{tert}-butyl-2-[3-(dimethylamino)propyl-methyl-amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDF
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BU of 6qdf by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000096
分子名称: 3-[[6-tert-butyl-2-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]thieno[3,2-d]pyrimidin-4-yl]-methyl-amino]propanenitrile, Glycylpeptide N-tetradecanoyltransferase, MAGNESIUM ION, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020
6QDD
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BU of 6qdd by Molmil
Leishmania major N-myristoyltransferase in complex with thienopyrimidine inhibitor IMP-0000105
分子名称: 2-[(2~{S})-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]-2,3-dihydropyrrol-2-yl]ethanenitrile, DIMETHYL SULFOXIDE, Glycylpeptide N-tetradecanoyltransferase, ...
著者Brannigan, J.A.
登録日2019-01-01
公開日2020-05-06
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Novel Thienopyrimidine Inhibitors of Leishmania N -Myristoyltransferase with On-Target Activity in Intracellular Amastigotes.
J.Med.Chem., 63, 2020

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