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PDB: 45955 件
1KF1
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BU of 1kf1 by Molmil
Structure and Packing of Human Telomeric DNA
分子名称: 5'-D(*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*GP*TP*TP*AP*GP*GP*G)-3, POTASSIUM ION
著者Parkinson, G.N, Lee, M.P.H, Neidle, S.
登録日2001-11-19
公開日2002-05-31
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of parallel quadruplexes from human telomeric DNA.
Nature, 417, 2002
2OVZ
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BU of 2ovz by Molmil
MMP-9 active site mutant with phosphinate inhibitor
分子名称: CALCIUM ION, CHLORIDE ION, Matrix metalloproteinase-9 (EC 3.4.24.35) (MMP-9) (92 kDa type IV collagenase) (92 kDa gelatinase) (Gelatinase B) (GELB), ...
著者Tochowicz, A, Bode, W, Maskos, K, Goettig, P.
登録日2007-02-15
公開日2007-06-19
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
J.Mol.Biol., 371, 2007
1NMM
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BU of 1nmm by Molmil
beta-1,4-galactosyltransferase mutant Cys342Thr complex with alpha-lactalbumin and GlcNAc
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-LACTALBUMIN, BETA-1,4-GALACTOSYLTRANSFERASE, ...
著者Ramakrishnan, B, Shah, P.S, Qasba, P.K.
登録日2003-01-10
公開日2003-01-21
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献alpha-Lactalbumin (LA) stimulates milk beta-1,4-galactosyltransferase I (beta 4Gal-T1) to transfer glucose from UDP-glucose to N-acetylglucosamine. Crystal structure of beta 4Gal-T1 x LA complex with UDP-Glc.
J.Biol.Chem., 276, 2001
4AOJ
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BU of 4aoj by Molmil
Human TrkA in complex with the inhibitor AZ-23
分子名称: 5-chloranyl-N2-[(1S)-1-(5-fluoranylpyridin-2-yl)ethyl]-N4-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine, HIGH AFFINITY NERVE GROWTH FACTOR RECEPTOR, ZINC ION
著者Wang, T, Lamb, M.L, Block, M.H, Davies, A.M, Han, Y, Hoffmann, E, Ioannidis, S, Josey, J.A, Liu, Z, Lyne, P.D, MacIntyre, T, Mohr, P.J, Omer, C.A, Sjogren, T, Thress, K, Wang, B, Wang, H, Yu, D, Zhang, H.
登録日2012-03-28
公開日2012-08-15
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Discovery of Disubstituted Imidazo[4,5-B]Pyridines and Purines as Potent Trka Inhibitors
Acs Med.Chem.Lett., 3, 2012
5C9F
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BU of 5c9f by Molmil
Crystal structure of a retropepsin-like aspartic protease from Rickettsia conorii
分子名称: ApRick protease, CHLORIDE ION, SODIUM ION
著者Li, M, Gustchina, A, Cruz, R, Simoes, M, Curto, P, Martinez, J, Faro, C, Simoes, I, Wlodawer, A.
登録日2015-06-26
公開日2015-10-14
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure of RC1339/APRc from Rickettsia conorii, a retropepsin-like aspartic protease.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
4RYX
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BU of 4ryx by Molmil
Crystal structure of RPE65 in complex with emixustat and palmitate, P6522 crystal form
分子名称: (1R)-3-amino-1-[3-(cyclohexylmethoxy)phenyl]propan-1-ol, (4S)-2-METHYL-2,4-PENTANEDIOL, FE (II) ION, ...
著者Kiser, P.D, Palczewski, K.
登録日2014-12-17
公開日2015-05-27
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Molecular pharmacodynamics of emixustat in protection against retinal degeneration.
J.Clin.Invest., 125, 2015
4RZZ
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BU of 4rzz by Molmil
Crystal structure of metallopeptidase-like dimethylsulphoniopropionate (DMSP) lyase RlDddP in complex with phosphate
分子名称: FE (III) ION, GLYCEROL, PHOSPHATE ION, ...
著者Zhang, Y, Wang, P.
登録日2014-12-27
公開日2015-08-05
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and molecular basis for the novel catalytic mechanism and evolution of DddP, an abundant peptidase-like bacterial Dimethylsulfoniopropionate lyase: a new enzyme from an old fold.
Mol.Microbiol., 98, 2015
1ZOS
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BU of 1zos by Molmil
Structure of 5'-methylthionadenosine/S-Adenosylhomocysteine nucleosidase from S. pneumoniae with a transition-state inhibitor MT-ImmA
分子名称: (3S,4R)-2-(4-AMINO-5H-PYRROLO[3,2-D]PYRIMIDIN-7-YL)-5-[(METHYLSULFANYL)METHYL]PYRROLIDINE-3,4-DIOL, 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase
著者Shi, W, Singh, V, Zhen, R, Tyler, P.C, Furneaux, R.H, Almo, S.C, Schramm, V.L.
登録日2005-05-13
公開日2006-04-25
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure and inhibition of a quorum sensing target from Streptococcus pneumoniae.
Biochemistry, 45, 2006
4RU4
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BU of 4ru4 by Molmil
Crystal structure of the tailspike protein gp49 from Pseudomonas phage LKA1
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, SODIUM ION, ...
著者Browning, C, Shneider, M.M, Leiman, P.G.
登録日2014-11-18
公開日2015-11-18
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.903 Å)
主引用文献The O-specific polysaccharide lyase from the phage LKA1 tailspike reduces Pseudomonas virulence.
Sci Rep, 7, 2017
408D
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BU of 408d by Molmil
STRUCTURAL BASIS FOR RECOGNITION OF A-T AND T-A BASE PAIRS IN THE MINOR GROOVE OF B-DNA
分子名称: DNA (5'-D(*CP*CP*AP*GP*TP*AP*CP*TP*GP*G)-3'), IMIDAZOLE-PYRROLE POLYAMIDE
著者Kielkopf, C.L, White, S, Szewczyk, J.W, Turner, J.M, Baird, E.E, Dervan, P.B, Rees, D.C.
登録日1998-06-24
公開日1998-10-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A structural basis for recognition of A.T and T.A base pairs in the minor groove of B-DNA.
Science, 282, 1998
6T77
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BU of 6t77 by Molmil
Crystal structure of Klebsiella pneumoniae FabG(NADPH-dependent) NADP-complex at 1.75 A resolution
分子名称: 3-oxoacyl-ACP reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Vella, P, Schnell, R, Lindqvist, Y, Schneider, G.
登録日2019-10-21
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.75 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, 2021
3CTO
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BU of 3cto by Molmil
Crystal Structure of M. tuberculosis YefM antitoxin
分子名称: SULFATE ION, Uncharacterized protein Rv3357/MT3465
著者Kumar, P, Issac, B, Dodson, E.J, Turkenberg, J.P, Mande, S.C.
登録日2008-04-14
公開日2008-12-02
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal structure of Mycobacterium tuberculosis YefM antitoxin reveals that it is not an intrinsically unstructured protein
J.Mol.Biol., 383, 2008
8FTW
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BU of 8ftw by Molmil
FliT-FliJ fusion complex
分子名称: Flagellar FliT protein, Flagellar FliJ protein fusion
著者Rossi, P, Kalodimos, C.G.
登録日2023-01-13
公開日2023-07-05
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Chaperone Recycling in Late-Stage Flagellar Assembly.
J.Mol.Biol., 435, 2023
4A56
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BU of 4a56 by Molmil
Crystal structure of the type 2 secretion system pilotin from Klebsiella Oxytoca
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, PULLULANASE SECRETION PROTEIN PULS
著者Tosi, T, Nickerson, N.N, Mollica, L, RingkjobingJensen, M, Blackledge, M, Baron, B, England, P, Pugsley, A.P, Dessen, A.
登録日2011-10-24
公開日2011-12-07
最終更新日2011-12-28
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Pilotin-Secretin Recognition in the Type II Secretion System of Klebsiella Oxytoca.
Mol.Microbiol, 82, 2011
5QGJ
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BU of 5qgj by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with FMOPL000706a
分子名称: 2-ethyl-N-(2-hydroxyphenyl)butanamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QGW
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000154
分子名称: 2-(4-methoxyphenyl)-N-(pyridin-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
3SSF
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BU of 3ssf by Molmil
Crystal structure of RNA:DNA dodecamer corresponding to HIV-1 polypurine tract, at 1.6 A resolution.
分子名称: 5'-D(*CP*CP*TP*TP*TP*TP*CP*TP*TP*TP*TP*A)-3', 5'-R(*UP*AP*AP*AP*AP*GP*AP*AP*AP*AP*GP*G)-3', MAGNESIUM ION
著者Drozdzal, P, Michalska, K, Kierzek, R, Lomozik, L, Jaskolski, M.
登録日2011-07-08
公開日2012-02-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of an RNA/DNA dodecamer corresponding to the HIV-1 polypurine tract at 1.6 Angstrom resolution
Acta Crystallogr.,Sect.D, 68, 2012
5QHC
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BU of 5qhc by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-337
分子名称: 1-[3'-(trifluoromethyl)[1,1'-biphenyl]-2-yl]-1,3-dihydro-2H-pyrrol-2-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
1O29
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BU of 1o29 by Molmil
Crystal structure of Thymidylate Synthase Complementing Protein (TM0449) from Thermotoga maritima with FAD and FdUMP at 2.0 A resolution
分子名称: 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE, FLAVIN-ADENINE DINUCLEOTIDE, Thymidylate synthase thyX
著者Mathews, I.I, Deacon, A.M, Canaves, J.M, McMullan, D, Lesley, S.A, Agarwalla, S, Kuhn, P, Joint Center for Structural Genomics (JCSG)
登録日2003-02-18
公開日2003-06-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Functional Analysis of Substrate and Cofactor Complex Structures of a Thymidylate Synthase-Complementing Protein
Structure, 11, 2003
4GUW
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BU of 4guw by Molmil
Crystal structure of type 1 Ribosome inactivating protein from Momordica balsamina with lipopolysaccharide at 1.6 Angstrom resolution
分子名称: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, ...
著者Singh, A, Pandey, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-08-30
公開日2012-09-12
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of type 1 Ribosome inactivating protein from Momordica balsamina with lipopolysaccharide at 1.6 Angstrom resolution
To be published
5TQ5
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BU of 5tq5 by Molmil
Design and Synthesis of a pan-JAK Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin
分子名称: 6-(2-ethyl-4-hydroxyphenyl)-N-(6-methylpyridin-3-yl)-1H-indazole-3-carboxamide, Tyrosine-protein kinase JAK2
著者Chrencik, J, Jones, P.
登録日2016-10-23
公開日2017-01-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of a Pan-Janus Kinase Inhibitor Clinical Candidate (PF-06263276) Suitable for Inhaled and Topical Delivery for the Treatment of Inflammatory Diseases of the Lungs and Skin.
J. Med. Chem., 60, 2017
5CJ1
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BU of 5cj1 by Molmil
Crystal structure of the coiled coil of MYH7 residues 1526 to 1571 fused to Gp7
分子名称: Gp7-MYH7-(1526-1571) chimera protein
著者Taylor, K.C, Korkmaz, E.N, Andreas, M.P, Ajay, G, Heinz, N.T, Cui, Q, Rayment, I.
登録日2015-07-13
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A composite approach towards a complete model of the myosin rod.
Proteins, 84, 2016
7G80
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BU of 7g80 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1041785508
分子名称: 5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.671 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G84
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BU of 7g84 by Molmil
ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1102357527
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.811 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published
7G88
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ARHGEF2 PanDDA analysis group deposition -- ARHGEF2 and RhoA in complex with Z1148747945
分子名称: DIMETHYL SULFOXIDE, FORMIC ACID, N-(3-methylpyridin-4-yl)acetamide, ...
著者Bradshaw, W.J, Katis, V.L, Bountra, C, von Delft, F, Brennan, P.E.
登録日2023-06-22
公開日2023-07-12
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.869 Å)
主引用文献ARHGEF2 PanDDA analysis group deposition
To Be Published

224004

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