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PDB: 46226 件
1A5O
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K217C VARIANT OF KLEBSIELLA AEROGENES UREASE, CHEMICALLY RESCUED BY FORMATE AND NICKEL
分子名称: FORMIC ACID, NICKEL (II) ION, UREASE (ALPHA SUBUNIT), ...
著者Pearson, M.A, Schaller, R.A, Michel, L.O, Karplus, P.A, Hausinger, R.P.
登録日1998-02-17
公開日1998-05-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Chemical rescue of Klebsiella aerogenes urease variants lacking the carbamylated-lysine nickel ligand.
Biochemistry, 37, 1998
2ZBH
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Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
分子名称: (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one, Phospholipase A2 VRV-PL-VIIIa
著者Kumar, S, Damodar, N.C, Jain, R, Singh, N, Sharma, S, Kaur, P, Haridas, M, Srinivasan, A, Singh, T.P.
登録日2007-10-20
公開日2007-11-13
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Crystal structure of the complex of phospholipase A2 with Bavachalcone from Aerva lanata at 2.6 A resolution
To be Published
6T62
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Crystal structure of Acinetobacter baumannii FabG in complex with NADPH at 1.8 A resolution
分子名称: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Schneider, G.
登録日2019-10-17
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A FabG inhibitor targeting an allosteric binding site inhibits several orthologs from Gram-negative ESKAPE pathogens.
Bioorg.Med.Chem., 30, 2020
2J9O
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Structure of PBP-A, L158E mutant
分子名称: GLYCEROL, TLL2115 PROTEIN
著者Evrard, C, Declercq, J.P.
登録日2006-11-14
公開日2007-12-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of Pbp-A from Thermosynechococcus Elongatus, a Penicillin-Binding Protein Closely Related to Class a Beta-Lactamases.
J.Mol.Biol., 386, 2009
6T6D
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BU of 6t6d by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2149
分子名称: 2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide, Activin receptor type I, SULFATE ION
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2019-10-18
公開日2019-10-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Targeting ALK2: An Open Science Approach to Developing Therapeutics for the Treatment of Diffuse Intrinsic Pontine Glioma.
J.Med.Chem., 63, 2020
2IUT
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BU of 2iut by Molmil
P. aeruginosa FtsK motor domain, dimeric
分子名称: DNA TRANSLOCASE FTSK, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
著者Massey, T.H, Mercogliano, C.P, Yates, J, Sherratt, D.J, Lowe, J.
登録日2006-06-07
公開日2006-08-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Mol.Cell, 23, 2006
2IVX
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Crystal structure of human cyclin T2 at 1.8 A resolution
分子名称: 1,2-ETHANEDIOL, CYCLIN-T2
著者Debreczeni, J.E, Bullock, A.N, Fedorov, O, Savitsky, P, Berridge, G, Das, S, Pike, A.C.W, Turnbull, A, Ugochukwu, E, Papagrigoriou, E, Gorrec, F, Sundstrom, M, Edwards, A, Arrowsmith, C, Weigelt, J, von Delft, F, Knapp, S.
登録日2006-06-21
公開日2006-07-19
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The structure of P-TEFb (CDK9/cyclin T1), its complex with flavopiridol and regulation by phosphorylation.
EMBO J., 27, 2008
5POC
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BU of 5poc by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11081a
分子名称: 1,2-ETHANEDIOL, 7-bromo-1-methyl-6-nitroquinolin-2(1H)-one, Bromodomain-containing protein 1, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.478 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5POP
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BU of 5pop by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10987a
分子名称: 1,2-ETHANEDIOL, 1-[4-(pyridin-4-yl)piperazin-1-yl]ethan-1-one, Bromodomain-containing protein 1, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.579 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
8CYI
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BU of 8cyi by Molmil
Cryo-EM structures and computational analysis for enhanced potency in MTA-synergic inhibition of human protein arginine methyltransferase 5
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, Methylosome protein 50, N-[(2-aminoquinolin-7-yl)methyl]-9-(2-hydroxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-6-carboxamide, ...
著者Yadav, G.P, Wei, Z, Xiaozhi, Y, Chenglong, L, Jiang, Q.
登録日2022-05-23
公開日2023-04-12
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Cryo-EM structure-based selection of computed ligand poses enables design of MTA-synergic PRMT5 inhibitors of better potency.
Commun Biol, 5, 2022
5PP0
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PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11009a
分子名称: 1,2-ETHANEDIOL, 2-amino-N-methylpyridine-3-carboxamide, Bromodomain-containing protein 1, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQB
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PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 48)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5ZRP
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BU of 5zrp by Molmil
M. smegmatis antimutator protein MutT2 form 3
分子名称: Putative mutator protein MutT2/NUDIX hydrolase
著者Singh, A, Arif, S.M, Sang, P.B, Varshney, U, Vijayan, M.
登録日2018-04-24
公開日2019-04-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural insights into the specificity and catalytic mechanism of mycobacterial nucleotide pool sanitizing enzyme MutT2.
J.Struct.Biol., 204, 2018
5PQV
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BU of 5pqv by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 68)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PW2
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BU of 5pw2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 253)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.32 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
8DEO
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BU of 8deo by Molmil
Structure of AAP A domain and B-repeats (residues 351-813) from Staphylococcus epidermidis
分子名称: Accumulation associated protein, CALCIUM ION, CHLORIDE ION
著者Harris, G, Whelan, F, Clark, L, Turkenburg, J.P, Potts, J.R.
登録日2022-06-21
公開日2023-05-03
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Staphylococcal Periscope proteins Aap, SasG, and Pls project noncanonical legume-like lectin adhesin domains from the bacterial surface.
J.Biol.Chem., 299, 2023
1AGZ
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BU of 1agz by Molmil
THE SOLUTION NMR STRUCTURE OF AN (R)-A-(N6-ADENYL)-STYRENE OXIDE-RAS61 OLIGODEOXYNUCLEOTIDE MODIFIED AT THE THIRD POSITION OF THE CODON 61 REGION, MINIMIZED AVERAGE STRUCTURE
分子名称: DNA (5'-D(*CP*GP*GP*AP*CP*AP*RP*GP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*CP*TP*TP*GP*TP*CP*CP*G)-3')
著者Feng, B, Stone, M.P.
登録日1997-03-26
公開日1997-08-20
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Major groove (R)-alpha-(N6-adenyl)styrene oxide adducts in an oligodeoxynucleotide containing the human N-ras codon 61 sequence: conformations of the R(61,2) and R(61,3) sequence isomers from 1H NMR.
Biochemistry, 34, 1995
5ZVB
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APOBEC3F Chimeric Catalytic Domain in Complex with DNA(dT9)
分子名称: APEBEC3F/ssDNA-T9, CACODYLATE ION, DNA (5'-D(*AP*TP*TP*TP*TP*CP*AP*AP*T)-3'), ...
著者Cheng, C, Zhang, T.L, Wang, C.X, Lan, W.X, Ding, J.P, Cao, C.Y.
登録日2018-05-09
公開日2018-11-21
最終更新日2018-11-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Cytidine Deaminase Human APOBEC3F Chimeric Catalytic Domain in Complex with DNA
Chin.J.Chem., 36, 2018
7TPR
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Camel nanobodies 7A3 and 8A2 broadly neutralize SARS-CoV-2 variants
分子名称: Nanobody 7A3, Nanobody 8A2, Spike glycoprotein
著者Butay, K.J, Zhu, J, Dandey, V.P, Hong, J, Kwon, H.J, Chen, C.Z, Duan, Z, Li, D, Ren, H, Liang, T, Martin, N, Esposito, D, Ortega-Rodriguez, U, Xu, M, Xie, H, Ho, M, Cachau, R, Borgnia, M.J.
登録日2022-01-25
公開日2022-04-20
実験手法ELECTRON MICROSCOPY (2.39 Å)
主引用文献Camel nanobodies broadly neutralize SARS-CoV-2 variants
bioRxiv, 2021
6TOP
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BU of 6top by Molmil
Structure of the PorE C-terminal domain, a protein of T9SS from Porphyromonas gingivalis
分子名称: GLCNAC(BETA1-4)-MURNAC(1,6-ANHYDRO)-L-ALA-GAMMA-D-GLU-MESO-A2PM-D-ALA, OmpA family protein, SODIUM ION
著者Trinh, T.N, Cambillau, C, Roussel, A, Leone, P.
登録日2019-12-11
公開日2020-06-17
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Crystal structure of Type IX secretion system PorE C-terminal domain from Porphyromonas gingivalis in complex with a peptidoglycan fragment.
Sci Rep, 10, 2020
2IUU
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BU of 2iuu by Molmil
P. aeruginosa FtsK motor domain, hexamer
分子名称: ADENOSINE-5'-DIPHOSPHATE, DNA TRANSLOCASE FTSK
著者Massey, T.H, Mercogliano, C.P, Yates, J, Sherratt, D.J, Lowe, J.
登録日2006-06-07
公開日2006-08-29
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Double-Stranded DNA Translocation: Structure and Mechanism of Hexameric Ftsk
Mol.Cell, 23, 2006
1TS5
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BU of 1ts5 by Molmil
I140T MUTANT OF TOXIC SHOCK SYNDROME TOXIN-1 FROM S. AUREUS
分子名称: TOXIC SHOCK SYNDROME TOXIN-1
著者Earhart, C.A, Mitchell, D.T, Murray, D.L, Pinheiro, D.M, Matsumura, M, Schlievert, P.M, Ohlendorf, D.H.
登録日1997-10-10
公開日1998-12-16
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of five mutants of toxic shock syndrome toxin-1 with reduced biological activity.
Biochemistry, 37, 1998
3O9L
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BU of 3o9l by Molmil
Design and optimisation of new piperidines as renin inhibitors
分子名称: (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin
著者Corminboeuf, O, Bezencon, O, Grisostomi, C, Remen, L, Richard-Bildstein, S, Bur, D, Prade, L, Hess, P, Strickner, P, Treiber, A.
登録日2010-08-04
公開日2011-03-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
1UH0
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BU of 1uh0 by Molmil
Crystal structure of jacalin- Me-alpha-GalNAc complex
分子名称: Agglutinin alpha chain, Agglutinin beta-3 chain, methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
著者Jeyaprakash, A.A, Katiyar, S, Swaminathan, C.P, Sekar, K, Surolia, A, Vijayan, M.
登録日2003-06-23
公開日2003-09-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of the Carbohydrate Specificities of Jacalin: An X-ray and Modeling Study
J.MOL.BIOL., 332, 2003
3VZY
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Crystal structure of PcrB complexed with G1P from bacillus subtilis subap. subtilis str. 168
分子名称: CHLORIDE ION, Heptaprenylglyceryl phosphate synthase, MAGNESIUM ION, ...
著者Ren, F, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Chan, H.C, Liu, Y.L, Wang, K, Chen, C.C, Pang, X, He, M, Li, Y, Oldfield, E, Guo, R.T.
登録日2012-10-17
公開日2012-12-26
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Insights into TIM-barrel prenyl transferase mechanisms: crystal structures of PcrB from Bacillus subtilis and Staphylococcus aureus
Chembiochem, 14, 2013

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