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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
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
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
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
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
8BXG
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BU of 8bxg by Molmil
Structure of the K/H exchanger KefC.
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, Glutathione-regulated potassium-efflux system protein KefC, ...
Authors:Gulati, A, Drew, D.
Deposit date:2022-12-08
Release date:2023-12-20
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.16 Å)
Cite:Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
8BY2
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BU of 8by2 by Molmil
Structure of the K+/H+ exchanger KefC with GSH.
Descriptor: (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate, ADENOSINE MONOPHOSPHATE, GLUTATHIONE, ...
Authors:Gulati, A, Drew, D.
Deposit date:2022-12-11
Release date:2023-12-27
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:Structure and mechanism of the K + /H + exchanger KefC.
Nat Commun, 15, 2024
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
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:2024-07-17
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
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:2024-07-17
Method:ELECTRON MICROSCOPY (2.7 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:2024-07-17
Method:ELECTRON MICROSCOPY (2.5 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:2024-07-17
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural mechanism of bridge RNA-guided recombination.
Nature, 630, 2024
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
6L3R
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BU of 6l3r by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide
Descriptor: 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-10-15
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6L7L
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BU of 6l7l by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide
Descriptor: 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-11-01
Release date:2020-11-04
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.171 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6LKM
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BU of 6lkm by Molmil
Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide
Descriptor: 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ...
Authors:Miyahara, S, Chong, K.T, Suzuki, T.
Deposit date:2019-12-19
Release date:2020-12-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
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
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
7X73
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BU of 7x73 by Molmil
Structure of G9a in complex with RK-701
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Histone-lysine N-methyltransferase EHMT2, ...
Authors:Niwa, H, Shirai, F, Sato, S, Nishigaya, Y, Shirouzu, M, Umehara, T.
Deposit date:2022-03-09
Release date:2022-12-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A specific G9a inhibitor unveils BGLT3 lncRNA as a universal mediator of chemically induced fetal globin gene expression.
Nat Commun, 14, 2023
7UOC
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BU of 7uoc by Molmil
Crystal structure of Orobanche minor KAI2d4
Descriptor: CHLORIDE ION, KAI2d4
Authors:Burger, M, Chory, J.
Deposit date:2022-04-12
Release date:2023-04-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:A Divergent Clade KAI2 Protein in the Root Parasitic Plant Orobanche minor Is a Highly Sensitive Strigolactone Receptor and Is Involved in the Perception of Sesquiterpene Lactones.
Plant Cell.Physiol., 64, 2023
5XM0
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BU of 5xm0 by Molmil
The mouse nucleosome structure containing H2A, H2B type3-A, H3.3, and H4
Descriptor: DNA (146-MER), Histone H2A type 1-B, Histone H2B type 3-A, ...
Authors:Taguchi, H, Horikoshi, N, Kurumizaka, H.
Deposit date:2017-05-12
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.874 Å)
Cite:Histone H3.3 sub-variant H3mm7 is required for normal skeletal muscle regeneration.
Nat Commun, 9, 2018

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PDB entries from 2024-09-11

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