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5F7B
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BU of 5f7b by Molmil
Resting state structure of CuNiR form Alcaligenes faecalis determined at 293 K
分子名称: COPPER (II) ION, Copper-containing nitrite reductase
著者Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Masuda, T, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Hatsui, T, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E.
登録日2015-12-07
公開日2016-03-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography
Proc.Natl.Acad.Sci.USA, 113, 2016
5Y7F
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BU of 5y7f by Molmil
Crystal structure of catalytic domain of UGGT (UDP-bound form) from Thermomyces dupontii
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, UGGT, ...
著者Satoh, T, Song, C, Zhu, T, Toshimori, T, Murata, K, Hayashi, Y, Kamikubo, H, Uchihashi, T, Kato, K.
登録日2017-08-17
公開日2017-09-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
5Y7O
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Crystal structure of folding sensor region of UGGT from Thermomyces dupontii
分子名称: UGGT
著者Satoh, T, Song, C, Zhu, T, Toshimori, T, Murata, K, Hayashi, Y, Kamikubo, H, Uchihashi, T, Kato, K.
登録日2017-08-17
公開日2017-09-27
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Visualisation of a flexible modular structure of the ER folding-sensor enzyme UGGT.
Sci Rep, 7, 2017
7YCA
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BU of 7yca by Molmil
Cryo-EM structure of the PSI-LHCI-Lhcp supercomplex from Ostreococcus tauri
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (1~{S})-3,5,5-trimethyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{R},4~{R})-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-3,5,7,9,11,13,15,17-octaenyl]cyclohex-3-en-1-ol, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Shan, J, Sheng, X, Ishii, A, Watanabe, A, Song, C, Murata, K, Minagawa, J, Liu, Z.
登録日2022-07-01
公開日2023-04-26
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献The photosystem I supercomplex from a primordial green alga Ostreococcus tauri harbors three light-harvesting complex trimers.
Elife, 12, 2023
2YMK
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BU of 2ymk by Molmil
Crystal structure of the hexameric anti-microbial peptide channel dermcidin
分子名称: DCD-1, ZINC ION
著者Zeth, K.
登録日2012-10-09
公開日2012-10-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Crystal Structure and Functional Mechanism of a Human Antimicrobial Membrane Channel.
Proc.Natl.Acad.Sci.USA, 110, 2013
7T9V
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BU of 7t9v by Molmil
Crystal structure of hSTING with the agonist, SHR171032
分子名称: (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.68 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
7T9U
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Crystal structure of hSTING with an agonist (SHR169224)
分子名称: (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide, CALCIUM ION, Stimulator of interferon genes protein
著者Chowdhury, R, Miller, M.
登録日2021-12-20
公開日2022-12-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献SHR1032, a novel STING agonist, stimulates anti-tumor immunity and directly induces AML apoptosis.
Sci Rep, 12, 2022
6SHK
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BU of 6shk by Molmil
High resolution structure of the antimicrobial peptide Dermcidin from human
分子名称: Dermcidin, ZINC ION
著者Zeth, K.
登録日2019-08-07
公開日2019-09-25
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.992 Å)
主引用文献Crystal Structure and Functional Mechanism of a Human Antimicrobial Membrane Channel
To be published
5GWN
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BU of 5gwn by Molmil
Crystal structure of human RCC2
分子名称: Protein RCC2, SULFATE ION
著者Liang, L, Yun, C.H, Yin, Y.X.
登録日2016-09-12
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.309 Å)
主引用文献RCC2 is a novel p53 target in suppressing metastasis.
Oncogene, 37, 2018
8XV2
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BU of 8xv2 by Molmil
Thiamine-bound human SLC19A3
分子名称: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, Soluble cytochrome b562,Thiamine transporter 2
著者Dang, Y, Wang, G.P, Zhang, Z.
登録日2024-01-14
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 2024
8XV5
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BU of 8xv5 by Molmil
Pyridoxamine-bound human SLC19A3
分子名称: 4-(AMINOMETHYL)-5-(HYDROXYMETHYL)-2-METHYLPYRIDIN-3-OL, Soluble cytochrome b562,Thiamine transporter 2
著者Dang, Y, Wang, G.P, Zhang, Z.
登録日2024-01-14
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 2024
8XV9
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BU of 8xv9 by Molmil
Fedratinib-bound human SLC19A3
分子名称: N-tert-butyl-3-{[5-methyl-2-({4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}amino)pyrimidin-4-yl]amino}benzenesulfonamide, Soluble cytochrome b562,Thiamine transporter 2
著者Dang, Y, Wang, G.P, Zhang, Z.
登録日2024-01-14
公開日2024-03-27
最終更新日2024-04-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Substrate and drug recognition mechanisms of SLC19A3.
Cell Res., 2024
6F7C
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BU of 6f7c by Molmil
TUBULIN-Compound 12 complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3,4,5-trimethoxy-~{N}-[(~{E})-naphthalen-1-ylmethylideneamino]benzamide, CALCIUM ION, ...
著者Muehlethaler, T, Prota, A.E, Steinmetz, M.O.
登録日2017-12-08
公開日2018-12-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.002 Å)
主引用文献Structural Basis of Colchicine-Site targeting Acylhydrazones active against Multidrug-Resistant Acute Lymphoblastic Leukemia.
Iscience, 21, 2019
4W4Q
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BU of 4w4q by Molmil
Glucose isomerase structure determined by serial femtosecond crystallography at SACLA
分子名称: CALCIUM ION, Xylose isomerase
著者Nango, E, Tanaka, T, Sugahara, M, Suzuki, M, Iwata, S.
登録日2014-08-15
公開日2014-11-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Grease matrix as a versatile carrier of proteins for serial crystallography
Nat.Methods, 12, 2015
4X1K
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BU of 4x1k by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-alanyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-24
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X20
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BU of 4x20 by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-prolyl-N-[(3R,4S,5S)-1-{(2S)-2-[(1R,2R)-3-{[(1S)-1-carboxy-2-phenylethyl]amino}-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl}-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X1I
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BU of 4x1i by Molmil
Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: 2-methyl-L-alanyl-N-[(3R,4S,5S)-3-methoxy-1-{(2S)-2-[(1R,2R)-1-methoxy-2-methyl-3-oxo-3-{[(1S)-2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino}propyl]pyrrolidin-1-yl}-5-methyl-1-oxoheptan-4-yl]-N-methyl-L-valinamide, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Parris, K.D.
登録日2014-11-24
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
4X1Y
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Discovery of cytotoxic Dolastatin 10 analogs with N-terminal modifications
分子名称: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
著者Parris, K.D.
登録日2014-11-25
公開日2015-03-25
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献Discovery of cytotoxic dolastatin 10 analogues with N-terminal modifications.
J.Med.Chem., 57, 2014
7SVL
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BU of 7svl by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.46 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVM
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BU of 7svm by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-2
分子名称: (2S)-2-amino-1-(1,3-dihydro-2H-isoindol-2-yl)-2-[(1r,4S)-4-(pyrrolidin-1-yl)cyclohexyl]ethan-1-one, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVN
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BU of 7svn by Molmil
DPP9 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 9
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
7SVO
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BU of 7svo by Molmil
DPP8 IN COMPLEX WITH LIGAND ICeD-1
分子名称: (2S,4S)-1-[(2S)-2-amino-2-cyclohexylacetyl]-4-fluoropyrrolidine-2-carbonitrile, Dipeptidyl peptidase 8, trimethylamine oxide
著者Lammens, A, Hollenstein, K, Klein, D.J.
登録日2021-11-19
公開日2022-10-05
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.58 Å)
主引用文献A Phenotypic Screen Identifies Potent DPP9 Inhibitors Capable of Killing HIV-1 Infected Cells.
Acs Chem.Biol., 17, 2022
6KAC
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BU of 6kac by Molmil
Cryo-EM structure of the C2S2-type PSII-LHCII supercomplex from Chlamydomonas reihardtii
分子名称: (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL, (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, (3S,5R,6S,3'S,5'R,6'S)-5,6,5',6'-DIEPOXY-5,6,5',6'- TETRAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL, ...
著者Sheng, X, Li, A.J, Song, D.F, Liu, Z.F.
登録日2019-06-21
公開日2019-10-23
最終更新日2019-12-25
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Structural insight into light harvesting for photosystem II in green algae.
Nat.Plants, 5, 2019
8AHG
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BU of 8ahg by Molmil
PAC-FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: Serine/threonine-protein kinase PAK 4, ~{N}-methyl-3-propan-2-yl-1~{H}-pyrazolo[3,4-c]pyridine-4-carboxamide
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.885 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022
8AHH
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PAC FragmentDEL: Photoactivated covalent capture of DNA encoded fragments for hit discovery
分子名称: 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide, Serine/threonine-protein kinase PAK 4
著者Baker, L.M, Murray, J.B, Hubbard, R.E.
登録日2022-07-21
公開日2022-09-14
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.037 Å)
主引用文献PAC-FragmentDEL - photoactivated covalent capture of DNA-encoded fragments for hit discovery.
Rsc Med Chem, 13, 2022

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