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5A7W
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Crystal structure of human JMJD2A in complex with compound 35
分子名称: 1,2-ETHANEDIOL, 2-[5-[(4-hydroxyphenyl)carbonylamino]-2-oxidanyl-phenyl]pyridine-4-carboxylic acid, DIMETHYL SULFOXIDE, ...
著者Nowak, R, Velupillai, S, Krojer, T, Gileadi, C, Johansson, C, Korczynska, M, Le, D.D, Younger, N, Gregori-Puigjane, E, Tumber, A, Iwasa, E, Pollock, S.B, Ortiz Torres, I, Kopec, J, Tallant, C, Froese, S, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Shoichet, B.K, Fujimori, D.G, Oppermann, U.
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 (2.27 Å)
主引用文献Docking and Linking of Fragments to Discover Jumonji Histone Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2Z2T
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BU of 2z2t by Molmil
Crystal structure of the complex between gp41 fragment N36 and fusion inhibitor SC34EK
分子名称: ACETIC ACID, Fusion inhibitor peptide SC34EK, SULFATE ION, ...
著者Nakamura, S, Ohkubo, T, Kobayashi, Y.
登録日2007-05-28
公開日2008-06-03
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Intrahelical Salt-bridges in a-Helical Peptide Enhances its Binding to the Target: A New Design for HIV-1 Fusion Inhibitors
To be Published
7OCK
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MAT in complex with SAMH
分子名称: S-adenosylmethionine synthase, SAM hydrolase
著者Simon, H, Kleiner, D, Shmulevich, F, Zarivach, R, Zalk, R, Tang, H, Ding, F, Bershtein, S.
登録日2021-04-27
公開日2021-07-21
最終更新日2021-10-13
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献SAMase of Bacteriophage T3 Inactivates Escherichia coli's Methionine S -Adenosyltransferase by Forming Heteropolymers.
Mbio, 12, 2021
4OE1
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BU of 4oe1 by Molmil
Crystal structure of the pentatricopeptide repeat protein PPR10 (C256S/C430S/C449S) in complex with an 18-nt PSAJ rna element
分子名称: Chloroplast pentatricopeptide repeat protein 10, PHOSPHATE ION, psaJ RNA
著者Li, Q, Yan, C, Wu, J, Yin, P, Yan, N.
登録日2014-01-11
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Examination of the dimerization states of the single-stranded RNA recognition protein pentatricopeptide repeat 10 (PPR10).
J.Biol.Chem., 289, 2014
2M4V
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BU of 2m4v by Molmil
Mycobacterium tuberculosis RNA polymerase binding protein A (RbpA) and its interactions with sigma factors
分子名称: Putative uncharacterized protein
著者Bortoluzzi, A, Muskett, F.W, Waters, L.C, Addis, P.W, Rieck, B, Munder, T, Schleier, S, Forti, F, Ghisotti, D, Carr, M.D, O'Hare, H.M.
登録日2013-02-11
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Mycobacterium tuberculosis RNA polymerase-binding protein A (RbpA) and its interactions with sigma factors.
J.Biol.Chem., 288, 2013
3EI2
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BU of 3ei2 by Molmil
Structure of hsDDB1-drDDB2 bound to a 16 bp abasic site containing DNA-duplex
分子名称: 5'-D(*DAP*DAP*DAP*DTP*DGP*DAP*DAP*DTP*(3DR)P*DAP*DAP*DGP*DCP*DAP*DGP*DG)-3', 5'-D(*DCP*DCP*DTP*DGP*DCP*DTP*DTP*DTP*DAP*DTP*DTP*DCP*DAP*DTP*DTP*DT)-3', DNA damage-binding protein 1, ...
著者Scrima, A, Thoma, N.H.
登録日2008-09-15
公開日2009-01-20
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
4WZN
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BU of 4wzn by Molmil
CRYSTAL STRUCTURE OF THE 2B PROTEIN SOLUBLE DOMAIN FROM HEPATITIS A VIRUS
分子名称: GLYCEROL, Genome polyprotein
著者Garriga, D, Vives-Adrian, L, Buxaderas, M, Ferreira-da-Silva, F, Almeida, B, Macedo-Ribeiro, S, Pereira, P.J, Verdaguer, N.
登録日2014-11-20
公開日2015-01-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural Basis for Host Membrane Remodeling Induced by Protein 2B of Hepatitis A Virus.
J.Virol., 89, 2015
4OLY
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BU of 4oly by Molmil
Crystal structure of antibody VRC07-G54R in complex with clade A/E 93TH057 HIV-1 gp120 core
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen binding fragment of heavy chain: Antibody VRC01, Antigen binding fragment of light chain: Antibody VRC01, ...
著者Kwon, Y.D, Kwong, P.D.
登録日2014-01-25
公開日2014-09-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.351 Å)
主引用文献Enhanced Potency of a Broadly Neutralizing HIV-1 Antibody In Vitro Improves Protection against Lentiviral Infection In Vivo.
J.Virol., 88, 2014
5ALJ
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BU of 5alj by Molmil
ligand complex structure of soluble epoxide hydrolase
分子名称: 2-(3-fluoro-4-methyl-anilino)-4-methyl-quinolin-5-ol, BIFUNCTIONAL EPOXIDE HYDROLASE 2, GLYCEROL, ...
著者Oster, L, Tapani, S, Xue, Y, Kack, H.
登録日2015-03-08
公開日2015-05-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Successful Generation of Structural Information for Fragment-Based Drug Discovery.
Drug Discov Today, 20, 2015
4OMG
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BU of 4omg by Molmil
Crystal structure of the bacterial diterpene cyclase COTB2
分子名称: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Geranylgeranyl diphosphate cyclase, SODIUM ION
著者Janke, R, Goerner, C, Hirte, M, Brueck, T, Loll, B.
登録日2014-01-27
公開日2014-06-04
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献The first structure of a bacterial diterpene cyclase: CotB2.
Acta Crystallogr.,Sect.D, 70, 2014
2LYC
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BU of 2lyc by Molmil
Structure of C-terminal domain of Ska1
分子名称: Spindle and kinetochore-associated protein 1 homolog
著者Boeszoermenyi, A, Schmidt, J.C, Markus, M, Oberer, M, Cheeseman, I.M, Wagner, G, Arthanari, H.
登録日2012-09-14
公開日2012-10-24
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献The kinetochore-bound ska1 complex tracks depolymerizing microtubules and binds to curved protofilaments.
Dev.Cell, 23, 2012
2VN5
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BU of 2vn5 by Molmil
The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner
分子名称: CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN
著者Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P.
登録日2008-01-31
公開日2008-05-20
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
2CRX
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BU of 2crx by Molmil
STRUCTURE OF THE HOLLIDAY JUNCTION INTERMEDIATE IN CRE-LOXP SITE-SPECIFIC RECOMBINATION
分子名称: DNA 35-MER, PROTEIN (CRE RECOMBINASE)
著者Gopaul, D.N, Guo, F, Vanduyne, G.D.
登録日1998-06-19
公開日1999-12-14
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure of the Holliday junction intermediate in Cre-loxP site-specific recombination.
EMBO J., 17, 1998
5AC6
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BU of 5ac6 by Molmil
S.enterica HisA mutant D10G, dup13-15, Q24L, G102A
分子名称: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase, SULFATE ION
著者Guo, X, Soderholm, A, Newton, M, Nasvall, J, Andersson, D, Patrick, W, Selmer, M.
登録日2015-08-12
公開日2016-09-28
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.993 Å)
主引用文献The Protein Structures, Functions and Dynamics of Adaptive Evolution
To be Published
4WYO
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BU of 4wyo by Molmil
Crystal structure of human-yeast chimera acetyl coA carboxylase CT domain bound to Compound 1
分子名称: 2'-tert-butyl-1-(2H-indazol-5-ylcarbonyl)-2'H-spiro[piperidine-4,5'-pyrano[3,2-c]pyrazol]-7'(6'H)-one, Acetyl-CoA carboxylase
著者Vajdos, F.F.
登録日2014-11-17
公開日2015-01-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Decreasing the Rate of Metabolic Ketone Reduction in the Discovery of a Clinical Acetyl-CoA Carboxylase Inhibitor for the Treatment of Diabetes.
J.Med.Chem., 57, 2014
1P2D
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BU of 1p2d by Molmil
Crystal Structure of Glycogen Phosphorylase B in complex with Beta Cyclodextrin
分子名称: Glycogen phosphorylase, muscle form, PYRIDOXAL-5'-PHOSPHATE, ...
著者Pinotsis, N, Leonidas, D.D, Chrysina, E.D, Oikonomakos, N.G, Mavridis, I.M.
登録日2003-04-15
公開日2003-09-02
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献The binding of beta- and gamma-cyclodextrins to glycogen phosphorylase b: Kinetic and crystallographic studies.
Protein Sci., 12, 2003
4OFY
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BU of 4ofy by Molmil
Crystal Structure of the Complex of SYG-1 D1-D2 and SYG-2 D1-D4
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, ETHYL MERCURY ION, ...
著者Ozkan, E, Garcia, K.C.
登録日2014-01-15
公開日2014-02-19
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Extracellular Architecture of the SYG-1/SYG-2 Adhesion Complex Instructs Synaptogenesis.
Cell(Cambridge,Mass.), 156, 2014
5DJS
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BU of 5djs by Molmil
Thermobaculum terrenum O-GlcNAc transferase mutant - K341M
分子名称: Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE
著者Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
登録日2015-09-02
公開日2015-10-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
2Z2B
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BU of 2z2b by Molmil
Deletion 107-116 mutant of dihydroorotase from E. coli
分子名称: Dihydroorotase, ZINC ION
著者Lee, M, Maher, M.J, Guss, J.M.
登録日2007-05-17
公開日2007-10-09
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Kinetic and Structural Analysis of Mutant Escherichia coli Dihydroorotases: A Flexible Loop Stabilizes the Transition State
Biochemistry, 46, 2007
6WAH
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BU of 6wah by Molmil
Crystal Structure of SmcR L139R from Vibrio vulnificus
分子名称: 1,2-ETHANEDIOL, LuxR family transcriptional regulator, SULFATE ION
著者Newman, J.D, Russell, M.M, Gonzalez-Gutierrez, G, van Kessel, J.C.
登録日2020-03-25
公開日2020-06-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献The DNA binding domain of the Vibrio vulnificus SmcR transcription factor is flexible and binds diverse DNA sequences.
Nucleic Acids Res., 49, 2021
5A5K
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BU of 5a5k by Molmil
AtGSTF2 from Arabidopsis thaliana in complex with camalexin
分子名称: (2Z)-2-indol-3-ylidene-3H-1,3-thiazole, GLUTATHIONE S-TRANSFERASE F2
著者Ahmad, L, Rylott, E, Bruce, N.C, Edwards, R, Grogan, G.
登録日2015-06-18
公開日2016-06-29
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Structural evidence for Arabidopsis glutathione transferase AtGSTF2 functioning as a transporter of small organic ligands.
FEBS Open Bio, 7, 2017
4FSE
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BU of 4fse by Molmil
crystal structure of beta-site app-cleaving enzyme 1 (bace-wt) complex with N-(N-(4-amino-3,5- dichlorobenzyl)carbamimidoyl)-3-(4-methoxyphenyl)-5- methyl-4-isothiazolecarboxamide
分子名称: Beta-secretase 1, IODIDE ION, N-[N-(4-amino-3,5-dichlorobenzyl)carbamimidoyl]-3-(4-methoxyphenyl)-5-methyl-1,2-thiazole-4-carboxamide
著者Muckelbauer, J.K.
登録日2012-06-27
公開日2012-10-10
最終更新日2019-07-17
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Acyl guanidine inhibitors of beta-secretase (BACE-1): optimization of a micromolar hit to a nanomolar lead via iterative solid- and solution-phase library synthesis
J.Med.Chem., 55, 2012
5X5B
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BU of 5x5b by Molmil
Prefusion structure of SARS-CoV spike glycoprotein, conformation 2
分子名称: Spike glycoprotein
著者Yuan, Y, Cao, D, Zhang, Y, Ma, J, Qi, J, Wang, Q, Lu, G, Wu, Y, Yan, J, Shi, Y, Zhang, X, Gao, G.F.
登録日2017-02-15
公開日2017-05-03
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Cryo-EM structures of MERS-CoV and SARS-CoV spike glycoproteins reveal the dynamic receptor binding domains
Nat Commun, 8, 2017
4WZQ
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BU of 4wzq by Molmil
Mutant K20E of RNA dependent RNA polymerase 3D from Foot-and-Mouth disease Virus complexed with RNA
分子名称: MANGANESE (II) ION, RNA dependent-RNA polymerase 3D, RNA template, ...
著者Verdaguer, N, Ferrer-Orta, C.
登録日2014-11-20
公開日2015-05-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Multifunctionality of a picornavirus polymerase domain: nuclear localization signal and nucleotide recognition.
J.Virol., 89, 2015
6W0E
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Open-gate KcsA soaked in 10 mM BaCl2
分子名称: BARIUM ION, Fab Heavy Chain, Fab Light Chain, ...
著者Rohaim, A, Gong, L, Li, J.
登録日2020-02-29
公開日2020-07-08
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (3.512 Å)
主引用文献Open and Closed Structures of a Barium-Blocked Potassium Channel.
J.Mol.Biol., 432, 2020

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