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6AI6
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BU of 6ai6 by Molmil
Crystal structure of SpCas9-NG
Descriptor: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9/Csn1, DNA (28-MER), ...
Authors:Nishimasu, H, Hirano, S, Ishitani, R, Nureki, O.
Deposit date:2018-08-21
Release date:2018-10-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Engineered CRISPR-Cas9 nuclease with expanded targeting space
Science, 361, 2018
8X5V
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BU of 8x5v by Molmil
BlCas9-sgRNA-target DNA complex
Descriptor: 1,2-ETHANEDIOL, BlCas9, CHLORIDE ION, ...
Authors:Nakane, T, Nakagawa, R, Yamashita, K, Nishimasu, H, Nureki, O.
Deposit date:2023-11-19
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and engineering of Brevibacillus laterosporus Cas9.
Commun Biol, 7, 2024
5B34
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BU of 5b34 by Molmil
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles in Complex with Iodine-labeled Detergent HAD13a Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
Descriptor: 2,4,6-tris(iodanyl)-5-(octanoylamino)benzene-1,3-dicarboxylic acid, Bacteriorhodopsin, DECANE, ...
Authors:Mizohata, E, Nakane, T.
Deposit date:2016-02-10
Release date:2016-11-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
5B35
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BU of 5b35 by Molmil
Serial Femtosecond Crystallography (SFX) of Ground State Bacteriorhodopsin Crystallized from Bicelles Determined Using 7-keV X-ray Free Electron Laser (XFEL) at SACLA
Descriptor: (3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-pentan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol, Bacteriorhodopsin, DECANE, ...
Authors:Mizohata, E, Nakane, T, Suzuki, M.
Deposit date:2016-02-10
Release date:2016-11-09
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent
Proc.Natl.Acad.Sci.USA, 113, 2016
8WT7
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BU of 8wt7 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange locked state
Descriptor: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
Authors:Hiraizumi, M, Yamashita, K, Nishimasu, H.
Deposit date:2023-10-18
Release date:2024-06-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mechanism of bridge RNA-guided recombination
Nature, 630, 2024
8WT8
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BU of 8wt8 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction intermediate)
Descriptor: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
Authors:Hiraizumi, M, Yamashita, K, Nishimasu, H.
Deposit date:2023-10-18
Release date:2024-06-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of bridge RNA-guided recombination
Nature, 630, 2024
8WT6
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BU of 8wt6 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the pre-strand exchange state
Descriptor: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
Authors:Hiraizumi, M, Yamashita, K, Nishimasu, H.
Deposit date:2023-10-18
Release date:2024-06-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Structural mechanism of bridge RNA-guided recombination
Nature, 630, 2024
8WT9
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BU of 8wt9 by Molmil
Cryo-EM structure of the IS621 recombinase in complex with bridge RNA, donor DNA, and target DNA in the post-strand exchange state (Holliday junction resolution)
Descriptor: IS621 transposase, MAGNESIUM ION, bridge RNA, ...
Authors:Hiraizumi, M, Yamashita, K, Nishimasu, H.
Deposit date:2023-10-18
Release date:2024-06-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mechanism of bridge RNA-guided recombination
Nature, 630, 2024
8JF5
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BU of 8jf5 by Molmil
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Descriptor: 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Fukushima, H, Machida, T, Yamashita, S, Suzuki, T.
Deposit date:2023-05-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:TAS1440, a histone H3 competitive LSD1 inhibitor, activates both TGF-beta and notch signaling pathways via INSM1 dissociation in neuroendocrine small cell lung cancer
To Be Published
7XHT
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BU of 7xht by Molmil
Structure of the OgeuIscB-omega RNA-target DNA complex
Descriptor: DNA (49-MER), DNA (5'-D(P*GP*AP*AP*GP*AP*AP*AP*AP*CP*CP*AP*T)-3'), LAURYL DIMETHYLAMINE-N-OXIDE, ...
Authors:Kato, K, Okazaki, O, Isayama, Y, Ishikawa, J, Nishizawa, T, Nishimasu, H.
Deposit date:2022-04-10
Release date:2022-12-14
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.55 Å)
Cite:Structure of the IscB-omega RNA ribonucleoprotein complex, the likely ancestor of CRISPR-Cas9.
Nat Commun, 13, 2022
6IVX
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BU of 6ivx by Molmil
Discovery of the Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
Descriptor: (4S)-4-[4'-cyclopropyl-5-(2,2-dimethylpropyl)[3,5'-bi-1,2-oxazol]-3'-yl]-6-[(2,4-dichlorophenyl)amino]-6-oxohexanoic acid, Nuclear receptor ROR-gamma, Nuclear receptor corepressor 2
Authors:Noguchi, M, Nomura, A, Doi, S, Adachi, T.
Deposit date:2018-12-04
Release date:2019-03-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Discovery of Second Generation ROR gamma Inhibitors Composed of an Azole Scaffold.
J. Med. Chem., 62, 2019
5B0X
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BU of 5b0x by Molmil
Crystal structure of the CK2a/benzoic acid derivative complex
Descriptor: 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid, Casein kinase II subunit alpha
Authors:Kinoshita, T, Nakanishi, I.
Deposit date:2015-11-13
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors
Bioorg.Med.Chem., 24, 2016
5B6X
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BU of 5b6x by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 760 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5B6V
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BU of 5b6v by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: resting state structure
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Nango, E, Royant, A, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5B6Y
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BU of 5b6y by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 36.2 us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5B6W
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BU of 5b6w by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 16 ns after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
5B6Z
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BU of 5b6z by Molmil
A three dimensional movie of structural changes in bacteriorhodopsin: structure obtained 1.725 ms us after photoexcitation
Descriptor: 2,3-DI-PHYTANYL-GLYCEROL, Bacteriorhodopsin, DECANE, ...
Authors:Royant, A, Nango, E, Nakane, T, Tanaka, T, Arima, T, Neutze, R, Iwata, S.
Deposit date:2016-06-02
Release date:2016-12-21
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A three-dimensional movie of structural changes in bacteriorhodopsin
Science, 354, 2016
8JBN
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BU of 8jbn by Molmil
Vascular endothelial protein tyrosine phosphatase in complex with Cpd-1
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(1~{H}-indol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
Authors:Orita, T, Furuzono, T, Doi, S, Adachi, T.
Deposit date:2023-05-09
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
8JBY
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BU of 8jby by Molmil
Vascular endothelial protein tyrosine phosphatase in complex with Cpd-2
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-(hydroxymethyl)-5-(1-methylindol-3-yl)-1,2-oxazole-3-carboxylic acid, ...
Authors:Orita, T, Furuzono, T, Doi, S, Adachi, T.
Deposit date:2023-05-10
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Fragment-Based Discovery of Novel VE-PTP Inhibitors Using Orthogonal Biophysical Techniques.
Biochemistry, 62, 2023
4PK5
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BU of 4pk5 by Molmil
Crystal structure of the indoleamine 2,3-dioxygenagse 1 (IDO1) complexed with Amg-1
Descriptor: 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
Authors:Kohno, T, Tojo, S, Ishii, T.
Deposit date:2014-05-13
Release date:2014-09-03
Last modified:2020-01-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Crystal Structures and Structure-Activity Relationships of Imidazothiazole Derivatives as IDO1 Inhibitors.
Acs Med.Chem.Lett., 5, 2014
6IS6
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BU of 6is6 by Molmil
Crystal structure of Thermoplasmatales archaeon heliorhodopsin
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, RETINAL, heliorhodopsin
Authors:Shihoya, W, Yamashita, K, Nureki, O.
Deposit date:2018-11-15
Release date:2019-09-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of heliorhodopsin.
Nature, 574, 2019
4PAE
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BU of 4pae by Molmil
Crystal structure of catalase-peroxidase (KatG) W78F mutant from Synechococcus elongatus PCC7942
Descriptor: Catalase-peroxidase, HEME B/C, SODIUM ION, ...
Authors:Kamachi, S, Wada, K, Tada, T.
Deposit date:2014-04-08
Release date:2015-01-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.206 Å)
Cite:Crystal structure of the catalase-peroxidase KatG W78F mutant from Synechococcus elongatus PCC7942 in complex with the antitubercular pro-drug isoniazid.
Febs Lett., 589, 2015
1J0J
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BU of 1j0j by Molmil
Crystal structure of neopullulanase E357Q complex with maltotetraose
Descriptor: alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, neopullulanase
Authors:Hondoh, H, Kuriki, T, Matsuura, Y.
Deposit date:2002-11-14
Release date:2003-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure and substrate binding of Bacillus stearothermophilus neopullulanase
J.Mol.Biol., 326, 2003
1J0I
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BU of 1j0i by Molmil
Crystal structure of neopullulanase complex with panose
Descriptor: alpha-D-glucopyranose-(1-6)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, neopullulanase
Authors:Hondoh, H, Kuriki, T, Matsuura, Y.
Deposit date:2002-11-14
Release date:2003-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Three-dimensional structure and substrate binding of Bacillus stearothermophilus neopullulanase
J.Mol.Biol., 326, 2003
1J0H
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BU of 1j0h by Molmil
Crystal structure of Bacillus stearothermophilus neopullulanase
Descriptor: CALCIUM ION, CHLORIDE ION, neopullulanase
Authors:Hondoh, H, Kuriki, T, Matsuura, Y.
Deposit date:2002-11-14
Release date:2003-01-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Three-dimensional Structure and Substrate Binding of Bacillus stearothermophilus Neopullulanase
J.Mol.Biol., 326, 2003

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