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PDB: 3048 results

4AZ7
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BU of 4az7 by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, BETA-N-ACETYLHEXOSAMINIDASE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-23
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4AZH
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BU of 4azh by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, N-acetylglucosaminono-1,5-lactone (Z)-oxime
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-26
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.22 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
7DUF
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BU of 7duf by Molmil
Crystal structure of VIM1 PHD finger.
Descriptor: E3 ubiquitin-protein ligase ORTHRUS 2, ZINC ION
Authors:Abhishek, S, Deeksha, W, Patel, D.J, Rajakumara, E.
Deposit date:2021-01-08
Release date:2021-08-25
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Helical and beta-Turn Conformations in the Peptide Recognition Regions of the VIM1 PHD Finger Abrogate H3K4 Peptide Recognition.
Biochemistry, 60, 2021
4AZG
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BU of 4azg by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, BETA-N-ACETYLHEXOSAMINIDASE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-25
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
6U7R
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BU of 6u7r by Molmil
NMR solution structure of SFTI1 based KLK7 protease inhibitor
Descriptor: GLY-LYS-CYS-LEU-PHE-SER-ASN-PRO-PRO-ILE-CYS-PHE-PRO-ASN inhibitor
Authors:White, A.M, Harvey, P.J, Durek, T, Craik, D.J.
Deposit date:2019-09-03
Release date:2020-04-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Application and Structural Analysis of Triazole-Bridged Disulfide Mimetics in Cyclic Peptides.
Angew.Chem.Int.Ed.Engl., 59, 2020
4AZI
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BU of 4azi by Molmil
Differential inhibition of the tandem GH20 catalytic modules in the pneumococcal exo-beta-D-N-acetylglucosaminidase, StrH
Descriptor: 1,2-ETHANEDIOL, BETA-N-ACETYLHEXOSAMINIDASE, BICINE, ...
Authors:Pluvinage, B, Stubbs, K.A, Vocadlo, D.J, Boraston, A.B.
Deposit date:2012-06-26
Release date:2013-07-10
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Inhibition of the Family 20 Glycoside Hydrolase Catalytic Modules in the Streptococcus Pneumoniae Exo-Beta-D-N-Acetylglucosaminidase, Strh.
Org.Biomol.Chem., 11, 2013
4BV0
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BU of 4bv0 by Molmil
High Resolution Structure of Evolved Agonist-bound Neurotensin Receptor 1 Mutant without Lysozyme Fusion
Descriptor: NEUROTENSIN RECEPTOR TYPE 1, NEUROTENSIN/NEUROMEDIN N
Authors:Egloff, P, Hillenbrand, M, Scott, D.J, Schlinkmann, K.M, Heine, P, Balada, S, Batyuk, A, Mittl, P, Schuetz, M, Plueckthun, A.
Deposit date:2013-06-24
Release date:2014-01-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structure of Signaling-Competent Neurotensin Receptor 1 Obtained by Directed Evolution in Escherichia Coli
Proc.Natl.Acad.Sci.USA, 111, 2014
3G5W
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BU of 3g5w by Molmil
Crystal structure of Blue Copper Oxidase from Nitrosomonas europaea
Descriptor: COPPER (II) ION, CU-O LINKAGE, CU-O-CU LINKAGE, ...
Authors:Lawton, T.J, Sayavedra-Soto, L.A, Arp, D.J, Rosenzweig, A.C.
Deposit date:2009-02-05
Release date:2009-02-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of a two-domain multicopper oxidase: implications for the evolution of multicopper blue proteins.
J.Biol.Chem., 284, 2009
4BZ1
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BU of 4bz1 by Molmil
Structure of dengue virus EDIII in complex with Fab 3e31
Descriptor: CHLORIDE ION, ENVELOPE PROTEIN, FAB 3E31 HEAVY CHAIN, ...
Authors:Li, J, Watterson, D, Chang, C.W, Li, X.Q, Ericsson, D.J, Qiu, L.W, Cai, J.P, Chen, J, Fry, S.R, Cooper, M.A, Che, X.Y, Young, P.R, Kobe, B.
Deposit date:2013-07-23
Release date:2014-08-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structure of Dengue Virus Ediii in Complex with Fab 3E31
To be Published
3G6G
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BU of 3g6g by Molmil
Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Descriptor: GLYCEROL, N-{3-[(3-{4-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}pyridin-2-yl)amino]-4-methylphenyl}-4-[(4-methylpiperazin-1-yl)methyl]benzamide, Proto-oncogene tyrosine-protein kinase Src
Authors:Seeliger, M.A, Ranjitkar, P, Kasap, C, Shan, Y, Shaw, D.E, Shah, N.P, Kuriyan, J, Maly, D.J.
Deposit date:2009-02-06
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Equally potent inhibition of c-Src and Abl by compounds that recognize inactive kinase conformations
Cancer Res., 69, 2009
4CC5
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BU of 4cc5 by Molmil
Fragment-Based Discovery of 6 Azaindazoles As Inhibitors of Bacterial DNA Ligase
Descriptor: 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine, DNA LIGASE, SULFATE ION
Authors:Howard, S, Amin, N, Benowitz, A.B, Chiarparin, E, Cui, H, Deng, X, Heightman, T.D, Holmes, D.J, Hopkins, A, Huang, J, Jin, Q, Kreatsoulas, C, Martin, A.C.L, Massey, F, McCloskey, L, Mortenson, P.N, Pathuri, P, Tisi, D, Williams, P.A.
Deposit date:2013-10-18
Release date:2014-06-18
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Fragment-Based Discovery of 6-Azaindazoles as Inhibitors of Bacterial DNA Ligase.
Acs Med.Chem.Lett., 4, 2013
1FNF
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BU of 1fnf by Molmil
FRAGMENT OF HUMAN FIBRONECTIN ENCOMPASSING TYPE-III REPEATS 7 THROUGH 10
Descriptor: FIBRONECTIN
Authors:Leahy, D.J, Aukhil, I, Erickson, H.P.
Deposit date:1995-09-30
Release date:1996-01-29
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:2.0 A crystal structure of a four-domain segment of human fibronectin encompassing the RGD loop and synergy region.
Cell(Cambridge,Mass.), 84, 1996
6T1U
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BU of 6t1u by Molmil
Cytochrome P450 reductase from Candida tropicalis
Descriptor: FLAVIN MONONUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, NADPH--cytochrome P450 reductase
Authors:Opperman, D.J, Sewell, B.T.
Deposit date:2019-10-06
Release date:2020-01-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biochemical and structural insights into the cytochrome P450 reductase from Candida tropicalis.
Sci Rep, 9, 2019
3MKD
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BU of 3mkd by Molmil
Crystal structure of myosin-2 dictyostelium discoideum motor domain S456Y mutant in complex with adp-orthovanadate
Descriptor: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Myosin-2 heavy chain, ...
Authors:Kathmann, D, Diensthuber, R.P, Fedorov, R, Manstein, D.J, Tsiavaliaris, G.
Deposit date:2010-04-14
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Switch-2 dependent modulation of the myosin power stroke
To be Published
4B93
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BU of 4b93 by Molmil
Complex of Vamp7 cytoplasmic domain with 2nd ankyrin repeat domain of Varp
Descriptor: ANKYRIN REPEAT DOMAIN-CONTAINING PROTEIN 27, VESICLE-ASSOCIATED MEMBRANE PROTEIN 7
Authors:Schaefer, I.B, Owen, D.J, Luzio, J.P, Evans, P.R.
Deposit date:2012-08-31
Release date:2012-10-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:The Binding of Varp to Vamp7 Traps Vamp7 in a Closed, Fusogenically Inactive Conformation.
Nat.Struct.Mol.Biol., 19, 2012
3KHH
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BU of 3khh by Molmil
Dpo4 extension ternary complex with a C base opposite the 2-aminofluorene-guanine [AF]G lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINOFLUORENE, 5'-D(*CP*CP*TP*A*AP*CP*GP*CP*TP*AP*CP*CP*AP*TP*CP*CP*AP*AP*CP*C)-3', ...
Authors:Rechkoblit, O, Malinina, L, Patel, D.J.
Deposit date:2009-10-30
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4.
Nat.Struct.Mol.Biol., 17, 2010
6VY1
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BU of 6vy1 by Molmil
Cryo-EM structure of filamentous PFD from Methanocaldococcus jannaschii
Descriptor: Prefoldin subunit alpha 2
Authors:Wang, F, Chen, Y.X, Ing, N.L, Hochbaum, A.I, Clark, D.S, Glover, D.J, Egelman, E.H.
Deposit date:2020-02-25
Release date:2020-05-13
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (6 Å)
Cite:Structural Determination of a Filamentous Chaperone to Fabricate Electronically Conductive Metalloprotein Nanowires.
Acs Nano, 14, 2020
6TL0
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BU of 6tl0 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with VARP 687-747
Descriptor: Ankyrin repeat domain-containing protein 27, Vacuolar protein sorting-associated protein 29, ZINC ION
Authors:Owen, D.J, Neuhaus, D, Yang, J.-C, Crawley-Snowdon, H.
Deposit date:2019-11-29
Release date:2020-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29.
Nat Commun, 11, 2020
6VN6
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BU of 6vn6 by Molmil
USP7 IN COMPLEX WITH LIGAND COMPOUND 14
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, ZINC ION, [(2R)-5-chloro-7-{2-[(2S)-1-chloro-2,3-dihydroxypropan-2-yl]thieno[3,2-b]pyridin-7-yl}-2,3-dihydro-1-benzofuran-2-yl](piperazin-1-yl)methanone
Authors:Leger, P.R, Wustrow, D.J, Hu, D.X, Krapp, S, Maskos, K, Blaesse, M.
Deposit date:2020-01-29
Release date:2020-04-29
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Discovery of Potent, Selective, and Orally Bioavailable Inhibitors of USP7 with In Vivo Antitumor Activity.
J.Med.Chem., 63, 2020
6TQE
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BU of 6tqe by Molmil
The structure of ABC transporter Rv1819c without addition of substrate
Descriptor: ABC transporter ATP-binding protein/permease, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION
Authors:Rempel, S, Gati, C, Slotboom, D.J, Guskov, A.
Deposit date:2019-12-16
Release date:2020-04-01
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds.
Nature, 580, 2020
4C2X
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BU of 4c2x by Molmil
Human N-myristoyltransferase isoform 2 (NMT2)
Descriptor: 2-oxopentadecyl-CoA, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE 2, MAGNESIUM ION
Authors:Thinon, E, Serwa, R.A, Brannigan, J.A, Brassat, U, Wright, M.H, Heal, W.P, Wilkinson, A.J, Mann, D.J, Tate, E.W.
Deposit date:2013-08-20
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Global Profiling of Co- and Post-Translationally N-Myristoylated Proteomes in Human Cells.
Nat.Commun., 5, 2014
5LWH
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BU of 5lwh by Molmil
CeuE (Y288F variant) a periplasmic protein from Campylobacter jejuni.
Descriptor: Enterochelin ABC transporter substrate-binding protein, ZINC ION
Authors:Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-09-16
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length.
Sci Rep, 7, 2017
3KHG
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BU of 3khg by Molmil
Dpo4 extension ternary complex with misinserted A opposite the 2-aminofluorene-guanine [AF]G lesion
Descriptor: 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-AMINOFLUORENE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Rechkoblit, O, Malinina, L, Patel, D.J.
Deposit date:2009-10-30
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4.
Nat.Struct.Mol.Biol., 17, 2010
6VLM
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BU of 6vlm by Molmil
Core Catalytic Domain of HIV Integrase in complex with virtual screening hit
Descriptor: Integrase, [3-(4-chlorophenyl)[1,3]thiazolo[3,2-a]benzimidazol-2-yl]acetic acid
Authors:Klein, D.J, Sanders, J.M.
Deposit date:2020-01-24
Release date:2020-05-13
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Augmenting Hit Identification by Virtual Screening Techniques in Small Molecule Drug Discovery.
J.Chem.Inf.Model., 60, 2020
6VRB
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BU of 6vrb by Molmil
Cryo-EM structure of AcrVIA1-Cas13(crRNA) complex
Descriptor: AcrVIA1, CRISPR-associated endoribonuclease Cas13a, RNA (52-MER)
Authors:Jia, N, Meeske, A.J, Marraffini, L.A, Patel, D.J.
Deposit date:2020-02-07
Release date:2020-06-10
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A phage-encoded anti-CRISPR enables complete evasion of type VI-A CRISPR-Cas immunity.
Science, 369, 2020

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數據於2024-11-06公開中

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