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6KZW
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BU of 6kzw by Molmil
Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
分子名称: PHOSPHATE ION, Pyridoxal phosphate homeostasis protein
著者Chen, Y, Wang, L, Shang, F, Lan, J, Liu, W, Xu, Y.
登録日2019-09-25
公開日2019-10-16
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Crystal structure of YggS family pyridoxal phosphate-dependent enzyme PipY from Fusobacterium nucleatum
To Be Published
6L0Z
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BU of 6l0z by Molmil
The crystal structure of Salmonella enterica sugar-binding protein MalE
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,5-anhydro-D-glucitol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
登録日2019-09-27
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The crystal structure of Salmonella enterica sugar-binding protein MalE
To Be Published
7WQR
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BU of 7wqr by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound 28
分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(3-chlorophenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.124 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQS
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound 25
分子名称: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(3-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-26
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
7WQM
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Crystal structure of Aldo-keto reductase 1C3 complexed with compound 24
分子名称: 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-~{N}-(2-methoxyphenyl)benzamide, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Sun, H, Fang, P.
登録日2022-01-25
公開日2023-01-04
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Development of highly potent and specific AKR1C3 inhibitors to restore the chemosensitivity of drug-resistant breast cancer.
Eur.J.Med.Chem., 247, 2022
6L1K
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BU of 6l1k by Molmil
Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum
分子名称: NADH-dependent butanol dehydrogenase A, PHOSPHATE ION
著者Lan, J, Shang, F, Liu, W, Xu, Y, Chen, Y.
登録日2019-09-29
公開日2019-10-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Crystal structure of NADH-dependent butanol dehydrogenase A from Fusobacterium nucleatum
To Be Published
6L19
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BU of 6l19 by Molmil
The crystal structure of competence or damage-inducible protein from Enterobacter asburiae
分子名称: CHLORIDE ION, GLYCEROL, PncC family amidohydrolase, ...
著者Wang, L, Chen, Y, Liu, W, Lan, J, Shang, F, Xu, Y.
登録日2019-09-28
公開日2019-10-16
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献The crystal structure of Competence or damage-inducible protein from Enterobacter asburiae
To Be Published
7X3L
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BU of 7x3l by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07044
分子名称: (2~{R})-2-[4-(3-fluoranyl-4-methyl-phenyl)-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
7X3M
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BU of 7x3m by Molmil
Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045
分子名称: (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Jiang, J, Liu, Y, He, S, Chen, Y, Chu, X, Liu, Y, Guo, Q, Zhao, L, Feng, F, Liu, W, Zhang, X, Fang, P, Sun, H.
登録日2022-03-01
公開日2023-03-08
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.694 Å)
主引用文献Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.
J.Med.Chem., 66, 2023
6LQI
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BU of 6lqi by Molmil
Cryo-EM structure of the mouse Piezo1 isoform Piezo1.1
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Geng, J, Liu, W, Zhou, H, Zhang, T, Wang, L, Zhang, M, Shen, B, Li, X, Xiao, B.
登録日2020-01-13
公開日2020-03-04
最終更新日2024-03-27
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献A Plug-and-Latch Mechanism for Gating the Mechanosensitive Piezo Channel.
Neuron, 106, 2020
6ME9
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BU of 6me9 by Molmil
XFEL crystal structure of human melatonin receptor MT2 in complex with ramelteon
分子名称: N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME7
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BU of 6me7 by Molmil
XFEL crystal structure of human melatonin receptor MT2 (H208A) in complex with 2-phenylmelatonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ...
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME6
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BU of 6me6 by Molmil
XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ...
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6ME8
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BU of 6me8 by Molmil
XFEL crystal structure of human melatonin receptor MT2 (N86D) in complex with 2-phenylmelatonin
分子名称: N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide, Soluble cytochrome b562,Melatonin receptor type 1B,Rubredoxin, ZINC ION
著者Johansson, L.C, Stauch, B, McCorvy, J, Han, G.W, Patel, N, Batyuk, A, Gati, C, Li, C, Grandner, J, Hao, S, Olsen, R.H.J, Tribo, A.R, Zaare, S, Zhu, L, Zatsepin, N.A, Weierstall, U, Liu, W, Roth, B.L, Katritch, V, Cherezov, V.
登録日2018-09-05
公開日2019-04-24
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献XFEL structures of the human MT2melatonin receptor reveal the basis of subtype selectivity.
Nature, 569, 2019
6MH6
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BU of 6mh6 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source.
分子名称: CALCIUM ION, NITRATE ION, Proteinase K
著者Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
登録日2018-09-17
公開日2019-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
6MH8
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BU of 6mh8 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source
分子名称: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct
著者Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
登録日2018-09-17
公開日2019-04-24
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (4.2 Å)
主引用文献High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5XK6
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Structure of a prenyltransferase soaked with IPP
分子名称: MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XK3
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BU of 5xk3 by Molmil
Crystal structure of apo form Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189
分子名称: SULFATE ION, Undecaprenyl diphosphate synthase
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.996 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
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, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
著者Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
5XK8
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BU of 5xk8 by Molmil
Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GPP
分子名称: GERANYL DIPHOSPHATE, MAGNESIUM ION, Undecaprenyl diphosphate synthase
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.304 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XK7
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Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with DMAPP
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYLALLYL DIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XK9
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Crystal structure of Isosesquilavandulyl Diphosphate Synthase from Streptomyces sp. strain CNH-189 in complex with GSPP and DMAPP
分子名称: DIMETHYLALLYL DIPHOSPHATE, GERANYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
著者Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
登録日2017-05-05
公開日2018-01-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.137 Å)
主引用文献"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
5XJX
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Pre-formed plant receptor ERL1-TMM complex
分子名称: LRR receptor-like serine/threonine-protein kinase ERL1, Protein TOO MANY MOUTHS
著者Chai, J, Lin, G, Zhang, L, Han, Z, Yang, X, Liu, W, Qi, Y, Chang, J, Li, E.
登録日2017-05-04
公開日2019-01-23
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3.055 Å)
主引用文献A receptor-like protein acts as a specificity switch for the regulation of stomatal development.
Genes Dev., 31, 2017
5Z10
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Structure of the mechanosensitive Piezo1 channel
分子名称: Piezo-type mechanosensitive ion channel component 1
著者Zhao, Q, Zhou, H, Chi, S, Wang, Y, Wang, J, Geng, J, Wu, K, Liu, W, Zhang, T, Dong, M.-Q, Wang, J, Li, X, Xiao, B.
登録日2017-12-22
公開日2018-01-31
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (3.97 Å)
主引用文献Structure and mechanogating mechanism of the Piezo1 channel.
Nature, 554, 2018

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