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5WR5
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Thermolysin, liganded form with cryo condition 1
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, TETRAETHYLENE GLYCOL, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR3
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BU of 5wr3 by Molmil
Thermolysin, SFX liganded form with water-based carrier
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
5WR6
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BU of 5wr6 by Molmil
Thermolysin, liganded form with cryo condition 2
分子名称: CALCIUM ION, N-[(benzyloxy)carbonyl]-L-aspartic acid, Thermolysin, ...
著者Kunishima, N, Naitow, H, Matsuura, Y.
登録日2016-11-29
公開日2017-08-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Protein-ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation
Acta Crystallogr D Struct Biol, 73, 2017
4PK6
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BU of 4pk6 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with imidazothiazole derivative
分子名称: Indoleamine 2,3-dioxygenase 1, N-[2-(3-chlorophenyl)ethyl]-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazole-5-carboxamide, PROTOPORPHYRIN IX CONTAINING FE
著者Kohno, T, Tojo, S, Ishii, T, Kamioka, S.
登録日2014-05-13
公開日2014-09-03
最終更新日2017-10-04
実験手法X-RAY DIFFRACTION (3.45 Å)
主引用文献Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
8H1J
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BU of 8h1j by Molmil
Cryo-EM structure of the TnpB-omegaRNA-target DNA ternary complex
分子名称: Non-target strand, RNA-guided DNA endonuclease TnpB, Target strand, ...
著者Nakagawa, R, Hirano, H, Omura, S, Nureki, O.
登録日2022-10-03
公開日2023-04-12
最終更新日2023-04-26
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the transposon-associated TnpB enzyme.
Nature, 616, 2023
4PK5
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Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1
分子名称: Indoleamine 2,3-dioxygenase 1, N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl}acetamide, PROTOPORPHYRIN IX CONTAINING FE
著者Kohno, T, Tojo, S, Ishii, T.
登録日2014-05-13
公開日2014-09-03
最終更新日2020-01-29
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
6ANL
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BU of 6anl by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[1,2-b]pyridazine-based p38 MAP Kinase Inhibitors
分子名称: Mitogen-activated protein kinase 14, TAK-715
著者Snell, G.P, Okada, K, Bragstad, K, Sang, B.-C.
登録日2017-08-14
公開日2018-01-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based design, synthesis, and biological evaluation of imidazo[1,2-b]pyridazine-based p38 MAP kinase inhibitors.
Bioorg. Med. Chem., 26, 2018
6PU2
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BU of 6pu2 by Molmil
Dark, Mutant H275T , 100K, PCM Myxobacterial Phytochrome, P2
分子名称: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
6PTQ
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Dark, Room Temperature, PCM Myxobacterial Phytochrome, P2, Wild Type
分子名称: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, BENZAMIDINE, Photoreceptor-histidine kinase BphP
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
6PTX
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BU of 6ptx by Molmil
Dark, 100K, PCM Myxobacterial Phytochrome, P2, Wild Type,
分子名称: 3-[(2Z)-2-({3-(2-carboxyethyl)-5-[(E)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-2-yl}methylidene)-5-{(Z)-[(3E,4S)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-3-yl]propanoic acid, Photoreceptor-histidine kinase BphP
著者Pandey, S, Schmidt, M, Stojkovic, E.A.
登録日2019-07-16
公開日2019-10-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献High-resolution crystal structures of a myxobacterial phytochrome at cryo and room temperatures.
Struct Dyn., 6, 2019
4YOP
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BU of 4yop by Molmil
CRYSTAL STRUCTURE OF HEN EGG-WHITE LYSOZYME
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Sugahara, M, Nakane, T, Suzuki, M, Nango, E.
登録日2015-03-12
公開日2015-12-23
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Native sulfur/chlorine SAD phasing for serial femtosecond crystallography
Acta Crystallogr.,Sect.D, 71, 2015
6M9L
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BU of 6m9l by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping - compound 10
分子名称: 3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-23
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
6M95
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BU of 6m95 by Molmil
Structure-based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridine-2-one based p38 MAP Kinase Inhibitors by scaffold hopping: compound 1
分子名称: (4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone, Mitogen-activated protein kinase 14
著者Lane, W, Okada, K.
登録日2018-08-22
公開日2019-04-17
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 1.
Chemmedchem, 14, 2019
6OHD
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BU of 6ohd by Molmil
P38 in complex with T-3220137
分子名称: 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide, Mitogen-activated protein kinase 14
著者Lane, W, Saikatendu, K.
登録日2019-04-05
公開日2019-11-20
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure-Based Design, Synthesis, and Biological Evaluation of Imidazo[4,5-b]Pyridin-2-one-Based p38 MAP Kinase Inhibitors: Part 2.
Chemmedchem, 14, 2019
1GSH
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BU of 1gsh by Molmil
STRUCTURE OF ESCHERICHIA COLI GLUTATHIONE SYNTHETASE AT PH 7.5
分子名称: GLUTATHIONE BIOSYNTHETIC LIGASE
著者Matsuda, K, Kato, H, Yamaguchi, H, Nishioka, T, Katsube, Y, Oda, J.
登録日1995-05-16
公開日1996-07-11
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of glutathione synthetase at optimal pH: domain architecture and structural similarity with other proteins.
Protein Eng., 9, 1996
6CKX
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BU of 6ckx by Molmil
Structure of CDK12/CycK in complex with a small molecule inhibitor N-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-N-((1r,4r)-4-(quinazolin-2-ylamino)cyclohexyl)acetamide
分子名称: Cyclin-K, Cyclin-dependent kinase 12, MAGNESIUM ION, ...
著者Klein, M.G.
登録日2018-03-01
公開日2018-08-29
最終更新日2018-09-26
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Discovery of 3-Benzyl-1-( trans-4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-arylurea Derivatives as Novel and Selective Cyclin-Dependent Kinase 12 (CDK12) Inhibitors.
J. Med. Chem., 61, 2018
7YU4
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BU of 7yu4 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, focused on receptor
分子名称: Lysophosphatidic acid receptor 1, [(2~{R})-2-[5-(2-hexylphenyl)pentanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU3
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Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556
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(i) subunit alpha-1, ...
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU5
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Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state1
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(i) subunit alpha-1, ...
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU7
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BU of 7yu7 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state3
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(i) subunit alpha-1, ...
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU6
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BU of 7yu6 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state2
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(i) subunit alpha-1, ...
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
7YU8
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BU of 7yu8 by Molmil
Human Lysophosphatidic Acid Receptor 1-Gi complex bound to ONO-0740556, state4
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(i) subunit alpha-1, ...
著者Akasaka, H, Shihoya, W, Nureki, O.
登録日2022-08-16
公開日2022-10-05
実験手法ELECTRON MICROSCOPY (4.5 Å)
主引用文献Structure of the active G i -coupled human lysophosphatidic acid receptor 1 complexed with a potent agonist.
Nat Commun, 13, 2022
1GSA
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BU of 1gsa by Molmil
STRUCTURE OF GLUTATHIONE SYNTHETASE COMPLEXED WITH ADP AND GLUTATHIONE
分子名称: ADENOSINE-5'-DIPHOSPHATE, GLUTATHIONE, GLUTATHIONE SYNTHETASE, ...
著者Hara, T, Kato, H, Nishioka, T, Katsube, Y, Oda, J.
登録日1995-06-08
公開日1996-06-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 A resolution.
Biochemistry, 35, 1996
8K65
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Serial femtosecond crystallography structure of CO bound ba3- type cytochrome c oxidase without pump laser irradiation
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CARBON MONOXIDE, COPPER (II) ION, ...
著者Safari, C, Ghosh, S, Andersson, R, Johannesson, J, Donoso, A.V, Bath, P, Zoric, D, Sandelin, E, Nango, E, Tanaka, R, Iwata, S, Neutze, R, Branden, G.
登録日2023-07-25
公開日2023-11-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Time-resolved serial crystallography to track the dynamics of carbon monoxide in the active site of cytochrome c oxidase.
Sci Adv, 9, 2023
7ZY3
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Room temperature structure of Archaerhodopsin-3 obtained 110 ns after photoexcitation
分子名称: Archaerhodopsin-3, CALCIUM ION, CHLORIDE ION, ...
著者Kwan, T.O.C, Judge, P.J, Moraes, I, Watts, A, Axford, D, Bada Juarez, J.F.
登録日2022-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A versatile approach to high-density microcrystals in lipidic cubic phase for room-temperature serial crystallography.
J.Appl.Crystallogr., 56, 2023

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