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8J0T
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BU of 8j0t by Molmil
Cryo-EM structure of Mycobacterium tuberculosis ATP synthase in the apo-form
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase epsilon chain, ...
著者Zhang, Y, Lai, Y, Liu, F, Rao, Z, Gong, H.
登録日2023-04-11
公開日2024-05-22
最終更新日2024-08-21
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Inhibition of M. tuberculosis and human ATP synthase by BDQ and TBAJ-587.
Nature, 631, 2024
4WLA
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BU of 4wla by Molmil
Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Tenboer, J, Schmidt, M.
登録日2014-10-06
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
4WL9
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Time Resolved Serial Femtosecond Crystallography Captures High Resolution Intermediates of PYP
分子名称: 4'-HYDROXYCINNAMIC ACID, Photoactive yellow protein
著者Tenboer, J, Schmidt, M.
登録日2014-10-06
公開日2014-12-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Time-resolved serial crystallography captures high-resolution intermediates of photoactive yellow protein.
Science, 346, 2014
5KAF
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BU of 5kaf by Molmil
RT XFEL structure of Photosystem II in the dark state at 3.0 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.00001 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
5KAI
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BU of 5kai by Molmil
NH3-bound RT XFEL structure of Photosystem II 500 ms after the 2nd illumination (2F) at 2.8 A resolution
分子名称: 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ...
著者Young, I.D, Ibrahim, M, Chatterjee, R, Gul, S, Koroidov, S, Brewster, A.S, Tran, R, Alonso-Mori, R, Fuller, F, Kroll, T, Michels-Clark, T, Laksmono, H, Sierra, R.G, Stan, C.A, Saracini, C, Bean, M.A, Seuffert, I, Sokaras, D, Weng, T.-C, Hunter, M.S, Aquila, A, Koglin, J.E, Robinson, J, Liang, M, Boutet, S, Lyubimov, A.Y, Uervirojnangkoorn, M, Moriarty, N.W, Liebschner, D, Afonine, P.V, Waterman, D.G, Evans, G, Dobbek, H, Weis, W.I, Brunger, A.T, Zwart, P.H, Adams, P.D, Zouni, A, Messinger, J, Bergmann, U, Sauter, N.K, Kern, J, Yachandra, V.K, Yano, J.
登録日2016-06-01
公開日2016-11-23
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.80000925 Å)
主引用文献Structure of photosystem II and substrate binding at room temperature.
Nature, 540, 2016
4UZD
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BU of 4uzd by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: AURORA KINASE A, ethyl (9S)-9-[3-(1H-benzimidazol-2-yloxy)phenyl]-8-oxo-4,5,6,7,8,9-hexahydro-2H-pyrrolo[3,4-b]quinoline-3-carboxylate
著者Pouzieux, S, Delarbre, L, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
4UZH
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BU of 4uzh by Molmil
SAR156497 an exquisitely selective inhibitor of Aurora kinases
分子名称: (4S)-4-(2-fluorophenyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b][1,7]naphthyridin-5-one, AURORA 2 KINASE DOMAIN
著者Pouzieux, S, Maignan, S, Crenne, J.Y.
登録日2014-09-05
公開日2014-11-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Sar156497 an Exquisitely Selective Inhibitor of Aurora Kinases.
J.Med.Chem., 58, 2015
2M4F
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BU of 2m4f by Molmil
Solution Structure of Outer surface protein E
分子名称: Outer surface protein E
著者Bhattacharjee, A, Oeemig, J.S, Kolodziejczyk, R, Meri, T, Kajander, T, Iwai, H, Jokiranta, T, Goldman, A.
登録日2013-02-05
公開日2013-05-15
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structural Basis for Complement Evasion by Lyme Disease Pathogen Borrelia burgdorferi
J.Biol.Chem., 288, 2013
8Q34
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BU of 8q34 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with the ligand ZZ001229a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1~{H}-imidazo[4,5-b]pyridin-2-ylmethyl)-3-(3-methyl-1,2-diazirin-3-yl)propanamide
著者MacLean, E.M, Gao, Q, Williams, E, Balcomb, B.H, von Delft, F, Bajusz, D, Keeley, A, Abranyi-Balogh, P, Koekemoer, L, Keseru, G.M.
登録日2023-08-03
公開日2024-02-07
最終更新日2024-08-14
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Mapping protein binding sites by photoreactive fragment pharmacophores.
Commun Chem, 7, 2024
6PNY
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BU of 6pny by Molmil
X-ray Structure of Flpp3
分子名称: Flpp3
著者Zook, J.D, Shekhar, M, Hansen, D.T, Conrad, C, Grant, T.D, Gupta, C, White, T, Barty, A, Basu, S, Zhao, Y, Zatsepin, N.A, Ishchenko, A, Batyuk, A, Gati, C, Li, C, Galli, L, Coe, J, Hunter, M, Liang, M, Weierstall, U, Nelson, G, James, D, Stauch, B, Craciunescu, F, Thifault, D, Liu, W, Cherezov, V, Singharoy, A, Fromme, P.
登録日2019-07-03
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献XFEL and NMR Structures of Francisella Lipoprotein Reveal Conformational Space of Drug Target against Tularemia.
Structure, 28, 2020
5KAE
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BU of 5kae by Molmil
Crystal structure of human PI3K-gamma in complex with quinoline-containing inhibitor 5g
分子名称: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2016-06-01
公開日2017-06-21
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery and in vivo evaluation of the potent and selective PI3K-delta inhibitors AM-0687 and AM-1430
To Be Published
6O31
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BU of 6o31 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
分子名称: Alpha-actinin-4
著者Birrane, G, Feng, D.
登録日2019-02-25
公開日2020-02-26
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
6O89
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BU of 6o89 by Molmil
Anti-CD28xCD3 CODV Fab
分子名称: Anti-CD28xCD3 CODV-Fab Heavy chain, Anti-CD28xCD3 CODV-Fab Light chain
著者Lord, D.M, Wei, R.R.
登録日2019-03-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
Nat Cancer, 1, 2020
6OA6
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BU of 6oa6 by Molmil
CRYSTAL STRUCTURE OF THE ACTIN-BINDING DOMAIN OF HUMAN ALPHA-ACTININ-4
分子名称: Alpha-actinin-4, GLYCEROL
著者Birrane, G, Feng, D.
登録日2019-03-15
公開日2020-03-18
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Phosphorylation of ACTN4 Leads to Podocyte Vulnerability and Proteinuric Glomerulosclerosis.
J. Am. Soc. Nephrol., 31, 2020
6O8D
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BU of 6o8d by Molmil
Anti-CD28xCD3 CODV Fab bound to CD28
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, Anti-CD28xCD3 CODV Fab Heavy chain, ...
著者Lord, D.M, Wei, R.R.
登録日2019-03-09
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.547 Å)
主引用文献Trispecific antibodies enhance the therapeutic efficacy of tumor-directed T cells through T cell receptor co-stimulation
To Be Published
6B5X
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BU of 6b5x by Molmil
Beta-Lactamase, unmixed shards crystal form
分子名称: Beta-lactamase, PHOSPHATE ION
著者Pandey, S.
登録日2017-09-29
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
6B6F
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BU of 6b6f by Molmil
Beta-Lactamase, mixed with Ceftriaxone, needles crystal form, 2sec
分子名称: Beta-lactamase, Ceftriaxone
著者Pandey, S, Schmidt, M.
登録日2017-10-01
公開日2018-06-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Enzyme intermediates captured "on the fly" by mix-and-inject serial crystallography.
BMC Biol., 16, 2018
8ECM
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BU of 8ecm by Molmil
Crystal Structure Analysis of Acetyl-CoA acetyltransferase from Firmicutes bacterium
分子名称: Acetyl-CoA acetyltransferase
著者Seo, H.S, Dhe-Paganon, S.
登録日2022-09-02
公開日2023-05-31
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease.
Nat Med, 29, 2023
4Z8W
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BU of 4z8w by Molmil
Crystal Structure of the Major Plantain Pollen Allergen Pla l 1
分子名称: Major pollen allergen Pla l 1, ZINC ION
著者Freier, R, Brandstetter, H.
登録日2015-04-09
公開日2016-07-06
最終更新日2018-05-30
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Crystal structure of Pla l 1 reveals both structural similarity and allergenic divergence within the Ole e 1-like protein family.
J. Allergy Clin. Immunol., 140, 2017
6XSW
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BU of 6xsw by Molmil
Structure of the Notch3 NRR in complex with an antibody Fab Fragment
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, Anti-N3 Fab Heavy Chain, ...
著者Bard, J.
登録日2020-07-16
公開日2021-07-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.98 Å)
主引用文献NOTCH3-targeted antibody drug conjugates regress tumors by inducing apoptosis in receptor cells and through transendocytosis into ligand cells.
Cell Rep Med, 2, 2021
6GF6
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BU of 6gf6 by Molmil
Molecular basis of egg coat filament cross-linking: high-resolution structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF7
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BU of 6gf7 by Molmil
Molecular basis of egg coat filament cross-linking: Zn-SAD structure of the partially deglycosylated ZP1 ZP-N1 domain homodimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, Zona pellucida sperm-binding protein 1,Zona pellucida sperm-binding protein 1
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
6GF8
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BU of 6gf8 by Molmil
Molecular basis of egg coat filament cross-linking: structure of the glycosylated ZP1 ZP-N1 domain homodimer
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Nishimura, K, Jovine, L.
登録日2018-04-29
公開日2019-06-19
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Molecular basis of egg coat cross-linking sheds light on ZP1-associated female infertility.
Nat Commun, 10, 2019
5ZLE
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BU of 5zle by Molmil
Human duodenal cytochrome b (Dcytb) in substrate free form
分子名称: Cytochrome b reductase 1, PROTOPORPHYRIN IX CONTAINING FE
著者Ganasen, M, Togashi, H, Mauk, G.A, Shiro, Y, Sawai, H, Sugimoto, H.
登録日2018-03-27
公開日2018-10-31
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis for promotion of duodenal iron absorption by enteric ferric reductase with ascorbate.
Commun Biol, 1, 2018
6N6O
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BU of 6n6o by Molmil
Crystal structure of the human TTK in complex with an inhibitor
分子名称: 1,2-ETHANEDIOL, 4-({5-chloro-4-[(cis-4-hydroxy-4-methylcyclohexyl)oxy]-7H-pyrrolo[2,3-d]pyrimidin-2-yl}amino)-N,N-dimethyl-3-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzamide, Dual specificity protein kinase TTK, ...
著者Fenalti, G.
登録日2018-11-26
公開日2019-05-15
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Design and Optimization Leading to an Orally Active TTK Protein Kinase Inhibitor with Robust Single Agent Efficacy.
J.Med.Chem., 62, 2019

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