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6YOI
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BU of 6yoi by Molmil
Meta-Carborane di-propyl-sulfonamide in complex with CA IX mimic
分子名称: Carbonic anhydrase 2, Meta-Carborane di-propyl-sulfonamide, ZINC ION
著者Kugler, M, Brynda, J, Pospisilova, K, Rezacova, P.
登録日2020-04-14
公開日2020-08-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Direct Introduction of an Alkylsulfonamido Group on C-sites of Isomeric Dicarba-closo-dodecaboranes: The Influence of Stereochemistry on Inhibitory Activity against the Cancer-Associated Carbonic Anhydrase IX Isoenzyme.
Chemistry, 26, 2020
5A7Y
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BU of 5a7y by Molmil
Crystal structure of Sulfolobus acidocaldarius Trm10 in complex with S-adenosylhomocysteine
分子名称: ACETATE ION, DI(HYDROXYETHYL)ETHER, S-ADENOSYL-L-HOMOCYSTEINE, ...
著者Van Laer, B, Roovers, M, Wauters, L, Kasprzak, J, Dyzma, M, Deyaert, E, Feller, A, Bujnicki, J, Droogmans, L, Versees, W.
登録日2015-07-10
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural and Functional Insights Into tRNA Binding and Adenosine N1-Methylation by an Archaeal Trm10 Homologue.
Nucleic Acids Res., 44, 2016
4LA1
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BU of 4la1 by Molmil
Crystal structure of SjTGR (thioredoxin glutathione reductase from Schistosoma japonicumi)complex with FAD
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Thioredoxin glutathione reductase
著者Peng, Y, Wu, Q, Huang, F, Chen, J, Li, X, Zhou, X, Fan, X.
登録日2013-06-18
公開日2014-07-30
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.348 Å)
主引用文献Crystal structure of SjTGR complex with FAD
To be Published
6LLC
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BU of 6llc by Molmil
Discovery of A Dual Inhibitor of NQO1 and GSTP1 for Treating Malignant Glioblastoma
分子名称: 5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-3-phenyl-1,2-oxazole-4-carboxamide, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, ...
著者Ye, K, Li, H.
登録日2019-12-23
公開日2020-11-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Discovery of a dual inhibitor of NQO1 and GSTP1 for treating glioblastoma.
J Hematol Oncol, 13, 2020
4LB4
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BU of 4lb4 by Molmil
Crystal structure of human AR complexed with NADP+ and {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {2-[(4-bromo-2,3,5,6-tetrafluorobenzyl)carbamoyl]-5-chlorophenoxy}acetic acid
著者Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A.
登録日2013-06-20
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (0.8 Å)
主引用文献Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
8AEI
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BU of 8aei by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 2 bound to citronellal
分子名称: (3R)-3,7-dimethyloct-6-en-1-ol, MAGNESIUM ION, Minor allergen Can f 2
著者Schwartz, M, Briand, L.
登録日2022-07-13
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structure of dog odorant binding protein
To Be Published
7MBX
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BU of 7mbx by Molmil
Human Cholecystokinin 1 receptor (CCK1R) Gs complex
分子名称: CHOLESTEROL HEMISUCCINATE, Cholecystokinin receptor type A, Cholecystokinin-8, ...
著者Mobbs, J.I, Belousoff, M.J, Danev, R, Thal, D.M, Sexton, P.M.
登録日2021-04-01
公開日2021-05-26
最終更新日2024-11-13
実験手法ELECTRON MICROSCOPY (1.95 Å)
主引用文献Structures of the human cholecystokinin 1 (CCK1) receptor bound to Gs and Gq mimetic proteins provide insight into mechanisms of G protein selectivity.
Plos Biol., 19, 2021
8AHD
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BU of 8ahd by Molmil
The apo structure of the Corramycin phosphotransferase
分子名称: Corramycin phosphotransferase, GLYCEROL
著者Adam, S, Mueller, R, Koehnke, J.
登録日2022-07-21
公開日2023-08-16
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The apo structure of the Corramycin phosphotransferase
To Be Published
1ZQB
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BU of 1zqb by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF BACL2 (150 MILLIMOLAR)
分子名称: BARIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
8ASO
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BU of 8aso by Molmil
Nickel(II) bound to a non-canonical quadruplex
分子名称: COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), NICKEL (II) ION
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
1ZWF
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BU of 1zwf by Molmil
STRUCTURE OF N-TERMINAL ACETYLATED HUMAN PARATHYROID HORMONE, NMR, 10 STRUCTURES
分子名称: PARATHYROID HORMONE
著者Roesch, P, Marx, U.C.
登録日1996-06-17
公開日1997-06-16
最終更新日2024-11-13
実験手法SOLUTION NMR
主引用文献
Strukturen Verschiedener Parathormonfragmente in Loesung, 1996
3M40
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BU of 3m40 by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-[N-(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide
分子名称: 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzenesulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Grazulis, S, Manakova, E, Golovenko, D.
登録日2010-03-10
公開日2010-10-20
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献4-[N-(Substituted 4-pyrimidinyl)amino]benzenesulfonamides as inhibitors of carbonic anhydrase isozymes I, II, VII, and XIII
Bioorg.Med.Chem., 18, 2010
1ZQF
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BU of 1zqf by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CSCL (150 MILLIMOLAR)
分子名称: CESIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
8U2P
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BU of 8u2p by Molmil
Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound)
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-(glycylsulfamoyl)adenosine, ...
著者Seattle Structural Genomics Center for Infectious Disease, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2023-09-06
公開日2023-09-13
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Crystal Structure of Glycine--tRNA ligase from Mycobacterium tuberculosis (G5A bound)
To be published
6LPE
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BU of 6lpe by Molmil
Phascolosoma esculenta ferritin
分子名称: Ferritin, MAGNESIUM ION, SULFATE ION
著者Su, X.R, Ming, T.H.
登録日2020-01-10
公開日2021-02-03
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural comparison of two ferritins from the marine invertebrate Phascolosoma esculenta.
Febs Open Bio, 11, 2021
1ZQM
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BU of 1zqm by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF MNCL2 (15 MILLIMOLAR)
分子名称: DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), MANGANESE (II) ION, ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
1ZQJ
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BU of 1zqj by Molmil
DNA POLYMERASE BETA (POL B) (E.C.2.7.7.7) COMPLEXED WITH SEVEN BASE PAIRS OF DNA; SOAKED IN THE PRESENCE OF CACL2 (15 MILLIMOLAR) AND MGCL2 (15 MILLIMOLAR)
分子名称: CALCIUM ION, DNA (5'-D(*CP*AP*TP*TP*AP*GP*AP*A)-3'), DNA (5'-D(*TP*CP*TP*AP*AP*TP*G)-3'), ...
著者Pelletier, H, Sawaya, M.R.
登録日1996-04-12
公開日1996-11-15
最終更新日2023-08-02
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Characterization of the metal ion binding helix-hairpin-helix motifs in human DNA polymerase beta by X-ray structural analysis.
Biochemistry, 35, 1996
3M5T
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BU of 3m5t by Molmil
Fragment tethered to Carbonic Anhydrase II H64C mutant
分子名称: 3,3-diphenyl-N-(2-sulfanylethyl)propanamide, CARBONATE ION, Carbonic anhydrase 2, ...
著者Schulze Wischeler, J, Heine, A, Klebe, G.
登録日2010-03-13
公開日2011-05-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Fragment screening on Carbonic Anhydrase II via Tethering approach
To be Published
7AE9
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BU of 7ae9 by Molmil
Crystal structure of mono-AMPylated HEPN(R46E) toxin in complex with MNT antitoxin
分子名称: 2',3'-DIDEOXYADENOSINE-5'-MONOPHOSPHATE, HEPN toxin, MNT ANTITOXIN
著者Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
登録日2020-09-17
公開日2020-12-30
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
4IY4
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BU of 4iy4 by Molmil
Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
分子名称: Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A.
登録日2013-01-28
公開日2014-03-12
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To be Published
8ASM
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BU of 8asm by Molmil
Cobalt(II) bound to a non-canonical quadruplex
分子名称: COBALT (II) ION, COBALT HEXAMMINE(III), DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3')
著者Lambert, M.C, Hall, J.P.
登録日2022-08-19
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Identifying metal-DNA binding sites, what is the best method to get transition metals into a crystal system?
To Be Published
4IYS
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BU of 4iys by Molmil
Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
分子名称: Metal transporter CNNM2
著者Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A.
登録日2013-01-29
公開日2014-03-05
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4
To be Published
7AE8
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BU of 7ae8 by Molmil
Crystal structure of HEPN(R102A) toxin
分子名称: ACETATE ION, HEPN toxin
著者Tamulaitiene, G, Sasnauskas, G, Songailiene, I, Juozapaitis, J, Siksnys, V.
登録日2020-09-17
公開日2020-12-30
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献HEPN-MNT Toxin-Antitoxin System: The HEPN Ribonuclease Is Neutralized by OligoAMPylation.
Mol.Cell, 80, 2020
3EZG
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BU of 3ezg by Molmil
Crystal structure of E18Q DJ-1 with oxidized C106
分子名称: Protein DJ-1
著者Lakshminarasimhan, M, Wilson, M.A.
登録日2008-10-22
公開日2008-12-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.15 Å)
主引用文献Formation of a stabilized cysteine sulfinic acid is critical for the mitochondrial function of the parkinsonism protein DJ-1.
J.Biol.Chem., 284, 2009
8AEH
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BU of 8aeh by Molmil
X-ray structure of Canis familiaris Odorant Binding Protein 1
分子名称: CALCIUM ION, Major allergen Can f 1
著者Schwartz, M, Briand, L.
登録日2022-07-13
公開日2023-08-16
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of dog odorant binding protein
To Be Published

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