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6M7U
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BU of 6m7u by Molmil
Human DNA polymerase eta in a non-productive ternary complex with Mg2+ and dTMPNPP oppositing cdA
分子名称: 5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]thymidine, CHLORIDE ION, DNA (5'-D(*AP*GP*TP*GP*TP*GP*AP*G)-3'), ...
著者Weng, P, Gao, Y, Yang, W.
登録日2018-08-21
公開日2018-09-12
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Bypassing a 8,5'-cyclo-2'-deoxyadenosine lesion by human DNA polymerase eta at atomic resolution.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5U0Z
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BU of 5u0z by Molmil
E. coli dihydropteroate synthase complexed with an 8-mercaptoguanine derivative
分子名称: (2R)-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl](phenyl)acetic acid, Dihydropteroate synthase
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2016-11-27
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5TOF
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BU of 5tof by Molmil
Room temperature structure of ubiquitin variant u7ub25
分子名称: Polyubiquitin-B, SULFATE ION
著者Biel, J.T, Thompson, M.C, Cunningham, C.N, Corn, J.E, Fraser, J.S.
登録日2016-10-17
公開日2017-05-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.12 Å)
主引用文献Flexibility and Design: Conformational Heterogeneity along the Evolutionary Trajectory of a Redesigned Ubiquitin.
Structure, 25, 2017
5TRF
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BU of 5trf by Molmil
MDM2 in complex with SAR405838
分子名称: (2'S,3R,4'S,5'R)-6-chloro-4'-(3-chloro-2-fluorophenyl)-2'-(2,2-dimethylpropyl)-N-(trans-4-hydroxycyclohexyl)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxamide, E3 ubiquitin-protein ligase Mdm2, GLYCEROL, ...
著者Meagher, J.L, Stuckey, J.A.
登録日2016-10-26
公開日2016-11-09
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献SAR405838: an optimized inhibitor of MDM2-p53 interaction that induces complete and durable tumor regression.
Cancer Res., 74, 2014
1IDP
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BU of 1idp by Molmil
Crystal structure of scytalone dehydratase F162A mutant in the unligated state
分子名称: SCYTALONE DEHYDRATASE
著者Nakasako, M, Motoyama, T, Yamaguchi, I.
登録日2001-04-04
公開日2003-04-08
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystallization of scytalone dehydratase F162A mutant in the unligated state and a preliminary X-ray diffraction study at 37 K
Acta Crystallogr.,Sect.D, 58, 2002
6M86
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BU of 6m86 by Molmil
Crystal Structure of Inward Rectifier Kir2.2 Force Open Mutant
分子名称: ATP-sensitive inward rectifier potassium channel 12, POTASSIUM ION
著者Lee, S.-J, Ren, F, Yuan, P, Nichols, C.G.
登録日2018-08-21
公開日2019-09-04
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Potassium conduction through an eukarytoic inwardly rectifying potassium channel
To be published
5TWL
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BU of 5twl by Molmil
Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 9-(3,5-dichloro-4-hydroxyphenyl)-1-{trans-4-[(dimethylamino)methyl]cyclohexyl}-3,4-dihydropyrimido[5,4-c]quinolin-2(1H)-one, Maternal embryonic leucine zipper kinase
著者Seo, H.-S, Huang, H.-T, Gray, N.S, Dhe-Paganon, S.
登録日2016-11-14
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5TWZ
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Structure of Maternal Embryonic Leucine Zipper Kinase
分子名称: 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, Maternal embryonic leucine zipper kinase
著者Seo, H.-Y, Dhe-Paganon, S.
登録日2016-11-15
公開日2017-11-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.631 Å)
主引用文献MELK is not necessary for the proliferation of basal-like breast cancer cells.
Elife, 6, 2017
5U10
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BU of 5u10 by Molmil
E. coli dihydropteroate synthase complexed with pteroic acid
分子名称: Dihydropteroate synthase, PHOSPHATE ION, PTEROIC ACID
著者Dennis, M.L, Peat, T.S, Swarbrick, J.D.
登録日2016-11-27
公開日2017-12-06
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献8-Mercaptoguanine Derivatives as Inhibitors of Dihydropteroate Synthase.
Chemistry, 24, 2018
5ZR2
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BU of 5zr2 by Molmil
Crystal Structure of Phosphoserine Phosphatase Mutant (H9A) from Entamoeba histolytica in complex with Phosphoserine
分子名称: DI(HYDROXYETHYL)ETHER, PHOSPHOSERINE, Phosphoglycerate mutase family protein, ...
著者Kumari, P, Gourinath, S.
登録日2018-04-23
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structural and functional characterisation of phosphoserine phosphatase, that plays critical role in the oxidative stress response in the parasite Entamoeba histolytica.
J.Struct.Biol., 206, 2019
5WM3
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BU of 5wm3 by Molmil
Crystal Structure of CahJ in Complex with Salicyl Adenylate
分子名称: 9-(5-O-{(S)-hydroxy[(2-hydroxybenzene-1-carbonyl)oxy]phosphoryl}-alpha-L-lyxofuranosyl)-9H-purin-6-amine, ACETATE ION, GLYCEROL, ...
著者Sikkema, A.P, Smith, J.L.
登録日2017-07-28
公開日2018-05-23
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.679 Å)
主引用文献A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Chembiochem, 19, 2018
5XD5
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BU of 5xd5 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP, magnesium fluoride and phosphate
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, FLUORIDE ION, ...
著者Arif, S.M, Varshney, U, Vijayan, M.
登録日2017-03-24
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
6ALC
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BU of 6alc by Molmil
CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one)
分子名称: 1,2-ETHANEDIOL, 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one, CREB-binding protein, ...
著者Murray, J.M.
登録日2017-08-07
公開日2018-08-08
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.391 Å)
主引用文献Design and synthesis of a biaryl series as inhibitors for the bromodomains of CBP/P300.
Bioorg. Med. Chem. Lett., 28, 2018
6MEN
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BU of 6men by Molmil
Crystal structure of a Tylonycteris bat coronavirus HKU4 macrodomain in complex with adenosine diphosphate glucose (ADP-glucose)
分子名称: ADENOSINE-5'-DIPHOSPHATE-GLUCOSE, Replicase polyprotein 1ab
著者Hammond, R.G, Schormann, N, McPherson, R.L, Leung, A.K.L, Deivanayagam, C.C.S, Johnson, M.A.
登録日2018-09-06
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献ADP-Ribose and Analogues bound to the DeMARylating Macrodomain from the Bat Coronavirus HKU4
Proc.Natl.Acad.Sci.USA, 2021
1T5R
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BU of 1t5r by Molmil
STRUCTURE OF THE PANTON-VALENTINE LEUCOCIDIN S COMPONENT FROM STAPHYLOCOCCUS AUREUS
分子名称: LukS-PV
著者Guillet, V, Roblin, P, Keller, D, Prevost, G, Mourey, L.
登録日2004-05-05
公開日2004-08-24
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of leucotoxin S component: new insight into the Staphylococcal beta-barrel pore-forming toxins.
J.Biol.Chem., 279, 2004
6MFI
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BU of 6mfi by Molmil
MIM-2 Metallo-Beta-Lactamase
分子名称: Metallo-beta-lactamase, ZINC ION
著者Selleck, C, Guddat, L, Schenk, G, Monteiro Pedroso, M.
登録日2018-09-11
公開日2019-11-13
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.839 Å)
主引用文献characterization of the B3 MBLs MIM-1 and MIM-2 from environmental microorganisms.
Chemistry, 23, 2017
6MGB
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BU of 6mgb by Molmil
Thermosulfurimonas dismutans KpsC, beta Kdo 2,4 transferase
分子名称: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, Capsular polysaccharide export system protein KpsC, ...
著者Doyle, L, Mallette, E, Kimber, M.S, Whitfield, C.
登録日2018-09-13
公開日2019-03-27
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Biosynthesis of a conserved glycolipid anchor for Gram-negative bacterial capsules.
Nat.Chem.Biol., 15, 2019
1Y9A
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BU of 1y9a by Molmil
Alcohol Dehydrogenase from Entamoeba histolotica in complex with cacodylate
分子名称: 1,2-ETHANEDIOL, ACETATE ION, CACODYLATE ION, ...
著者Shimon, L.J, Peretz, M, Goihberg, E, Burstein, Y, Frolow, F.
登録日2004-12-15
公開日2006-01-17
最終更新日2017-10-11
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure of alcohol dehydrogenase from Entamoeba histolytica.
Acta Crystallogr.,Sect.D, 62, 2006
1FOT
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BU of 1fot by Molmil
STRUCTURE OF THE UNLIGANDED CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT FROM SACCHAROMYCES CEREVISIAE
分子名称: CAMP-DEPENDENT PROTEIN KINASE TYPE 1
著者Mashhoon, N, Carmel, G, Pflugrath, J.W, Kuret, J.
登録日2000-08-28
公開日2001-06-13
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the unliganded cAMP-dependent protein kinase catalytic subunit from Saccharomyces cerevisiae.
Arch.Biochem.Biophys., 387, 2001
6LZZ
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BU of 6lzz by Molmil
Crystal structure of the PDE9 catalytic domain in complex with inhibitor 4a
分子名称: 1-cyclopentyl-6-[[(2R)-1-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-1-oxidanylidene-propan-2-yl]amino]-5H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Huang, Y.Y, Wu, Y, Luo, H.B.
登録日2020-02-19
公開日2021-02-24
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.40003753 Å)
主引用文献Identification of phosphodiesterase-9 as a novel target for pulmonary arterial hypertension by using highly selective and orally bioavailable inhibitors
To Be Published
5XD4
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BU of 5xd4 by Molmil
Crystal structure of Mycobacterium smegmatis MutT1 in complex with ATP (II)
分子名称: ADENOSINE-5'-TRIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
著者Arif, S.M, Varshney, U, Vijayan, M.
登録日2017-03-24
公開日2017-08-09
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Hydrolysis of diadenosine polyphosphates. Exploration of an additional role of Mycobacterium smegmatis MutT1
J. Struct. Biol., 199, 2017
6M3I
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BU of 6m3i by Molmil
Crystal structure of HPF1/PARP1 complex
分子名称: BENZAMIDE, Histone PARylation factor 1, Poly [ADP-ribose] polymerase 1
著者Sun, F.H, Yun, C.H.
登録日2020-03-03
公開日2021-03-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献HPF1 remodels the active site of PARP1 to enable the serine ADP-ribosylation of histones.
Nat Commun, 12, 2021
2PCD
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BU of 2pcd by Molmil
STRUCTURE OF PROTOCATECHUATE 3,4-DIOXYGENASE FROM PSEUDOMONAS AERUGINOSA AT 2.15 ANGSTROMS RESOLUTION
分子名称: FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE (ALPHA CHAIN), PROTOCATECHUATE 3,4-DIOXYGENASE (BETA CHAIN)
著者Ohlendorf, D.H, Orville, A.M, Lipscomb, J.D.
登録日1994-06-21
公開日1994-12-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Structure of protocatechuate 3,4-dioxygenase from Pseudomonas aeruginosa at 2.15 A resolution.
J.Mol.Biol., 244, 1994
5XPJ
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BU of 5xpj by Molmil
Crystal Structure of Periplasmic glucose binding protein ppGBP deletion mutant- Del-ppGBP
分子名称: Binding protein component of ABC sugar transporter
著者Pandey, S, Phale, P.S, Bhaumik, P.
登録日2017-06-02
公開日2018-10-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural modulation of a periplasmic sugar-binding protein probes into its evolutionary ancestry.
J. Struct. Biol., 204, 2018
6KD1
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BU of 6kd1 by Molmil
Room temperature structure of lysozyme delivered in agarose by serial millisecond crystallography
分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION
著者Nam, K.H.
登録日2019-06-30
公開日2019-07-17
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Stable sample delivery in viscous media via a capillary for serial crystallography.
J.Appl.Crystallogr., 53, 2020

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