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6T6W
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BU of 6t6w by Molmil
3C-like protease from Southampton virus complexed with XST00000692b.
Descriptor: 2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-19
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6T8T
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BU of 6t8t by Molmil
3C-like protease from Southampton virus complexed with FMOPL000603a.
Descriptor: 2-(4-ethoxyphenyl)ethanoic acid, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-24
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
6TC1
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BU of 6tc1 by Molmil
3C-like protease from Southampton virus complexed with FMOPL000283a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-11-04
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
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
6TAL
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BU of 6tal by Molmil
3C-like protease from Southampton virus complexed with FMOPL000227a.
Descriptor: 5-ethyl-1,3,4-thiadiazol-2-amine, DIMETHYL SULFOXIDE, Genome polyprotein, ...
Authors:Guo, J, Cooper, J.B.
Deposit date:2019-10-29
Release date:2020-08-19
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:In crystallo-screening for discovery of human norovirus 3C-like protease inhibitors.
J Struct Biol X, 4, 2020
5LWQ
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BU of 5lwq by Molmil
CeuE (H227L variant) a periplasmic protein from Campylobacter jejuni
Descriptor: BROMIDE ION, Enterochelin uptake periplasmic binding protein, SODIUM ION
Authors:Wilde, E.J, Blagova, E, Hughes, A, Raines, D.J, Moroz, O.V, Turkenburg, J.P, Duhme-Klair, A.-K, Wilson, K.S.
Deposit date:2016-09-19
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.52 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
4HSX
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BU of 4hsx by Molmil
Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata with 4-bromophenol
Descriptor: 4-BROMOPHENOL, Dehaloperoxidase A, GLYCEROL, ...
Authors:Thompson, M.K, Plummer, A, Franzen, S.
Deposit date:2012-10-31
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Role of polarity of the distal pocket in the control of inhibitor binding in dehaloperoxidase-hemoglobin.
Biochemistry, 52, 2013
4HSW
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BU of 4hsw by Molmil
Structure of the L100F mutant of dehaloperoxidase-hemoglobin A from Amphitrite ornata
Descriptor: Dehaloperoxidase A, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Thompson, M.K, Plummer, A, Franzen, S.
Deposit date:2012-10-31
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Role of polarity of the distal pocket in the control of inhibitor binding in dehaloperoxidase-hemoglobin.
Biochemistry, 52, 2013
4KMV
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BU of 4kmv by Molmil
Structure of the L100F MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
Descriptor: 1,2-ETHANEDIOL, 2,4,6-trichlorophenol, Dehaloperoxidase A, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4KMW
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BU of 4kmw by Molmil
Structure of the Y34N MUTANT OF DEHALOPEROXIDASE-HEMOGLOBIN A FROM AMPHITRITE ORNATA WITH 2,4,6-TRICHLOROPHENOL
Descriptor: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
4JAC
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BU of 4jac by Molmil
Dehaloperoxidase-Hemoglobin T56S
Descriptor: AZIDE ION, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Franzen, S, Swartz, P.D.
Deposit date:2013-02-18
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.934 Å)
Cite:The role of T56 in controlling the flexibility of the distal histidine in dehaloperoxidase-hemoglobin from Amphitrite ornata.
Biochim.Biophys.Acta, 1834, 2013
4KN3
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BU of 4kn3 by Molmil
Structure of the Y34NS91G double mutant of Dehaloperoxidase from Amphitrite ornata with 2,4,6-trichlorophenol
Descriptor: 2,4,6-trichlorophenol, Dehaloperoxidase A, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, C, Lovelace, L, Lebioda, L.
Deposit date:2013-05-08
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Complexes of dual-function hemoglobin/dehaloperoxidase with substrate 2,4,6-trichlorophenol are inhibitory and indicate binding of halophenol to compound I.
Biochemistry, 52, 2013
3NUN
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BU of 3nun by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with lead compound
Descriptor: 6-(2-aminopyrimidin-4-yl)-1H-indazol-3-amine, GLYCEROL, PkB-like, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-06-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery
TO BE PUBLISHED
3ZRV
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BU of 3zrv by Molmil
The high resolution structure of a dimeric Hamp-Dhp fusion displays asymmetry - A291F mutant
Descriptor: HAMP, OSMOLARITY SENSOR PROTEIN ENVZ
Authors:Zeth, K, Hulko, M, Ferris, H.U, Martin, J.
Deposit date:2011-06-20
Release date:2011-07-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Mechanism of Regulation of Receptor Histidine Kinases.
Structure, 20, 2012
4AKM
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BU of 4akm by Molmil
Crystal structure of the human lysosome-associated membrane protein LAMP-3 (aka DC-LAMP)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, IRIDIUM (III) ION, LYSOSOME-ASSOCIATED MEMBRANE GLYCOPROTEIN 3
Authors:Krausze, J, Wilke, S, Buessow, K.
Deposit date:2012-02-24
Release date:2012-08-15
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:Crystal Structure of the Conserved Domain of the Dc Lysosomal Associated Membrane Protein: Implications for the Lysosomal Glycocalyx.
Bmc Biol., 10, 2012
6XVF
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BU of 6xvf by Molmil
Crystal structure of bovine cytochrome bc1 in complex with tetrahydro-quinolone inhibitor JAG021
Descriptor: 1,2-DIHEXANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ...
Authors:Amporndanai, K, Hasnain, S.S, Antonyuk, S.V.
Deposit date:2020-01-21
Release date:2020-07-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Potent Tetrahydroquinolone Eliminates Apicomplexan Parasites.
Front Cell Infect Microbiol, 10, 2020
6NBL
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BU of 6nbl by Molmil
Cytochrome P450cam-putidaredoxin complex bound to camphor and cyanide
Descriptor: 1,1'-hexane-1,6-diyldipyrrolidine-2,5-dione, CALCIUM ION, CAMPHOR, ...
Authors:Follmer, A.H, Tripathi, S.M, Poulos, T.L.
Deposit date:2018-12-07
Release date:2019-03-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Ligand and Redox Partner Binding Generates a New Conformational State in Cytochrome P450cam (CYP101A1).
J. Am. Chem. Soc., 141, 2019
8TM7
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BU of 8tm7 by Molmil
Human NAMPT in complex with substrate NAM and small molecule activator NP-A3
Descriptor: CHLORIDE ION, GLYCEROL, N-{2-[(4R)-2,2-dimethyl-4-(propan-2-yl)oxan-4-yl]ethyl}-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide, ...
Authors:Ratia, K.M, Thatcher, G.R.
Deposit date:2023-07-28
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Nicotinamide Phosphoribosyltransferase Positive Allosteric Modulators Attenuate Neuronal Oxidative Stress.
Acs Med.Chem.Lett., 15, 2024
3NUU
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BU of 3nuu by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
Descriptor: 3,4-dihydroisoquinolin-1(2H)-one, GLYCEROL, PkB-like, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (1.9803 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NUS
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BU of 3nus by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
Descriptor: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3NYS
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BU of 3nys by Molmil
X-ray structure of the K185A mutant of WbpE (WlbE) from pseudomonas aeruginosa in complex with PLP at 1.45 angstrom resolution
Descriptor: Aminotransferase WbpE, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION
Authors:Holden, H.M, Thoden, J.B.
Deposit date:2010-07-15
Release date:2010-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structural investigation on WlaRG from Campylobacter jejuni: A sugar aminotransferase.
Protein Sci., 26, 2017
3RY1
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BU of 3ry1 by Molmil
Wild-type core streptavidin at atomic resolution
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, Streptavidin
Authors:Stenkamp, R.E, Wang, Z, Le Trong, I, Stayton, P.S, Lybrand, T.P.
Deposit date:2011-05-10
Release date:2011-08-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Streptavidin and its biotin complex at atomic resolution.
Acta Crystallogr.,Sect.D, 67, 2011
2Q7K
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BU of 2q7k by Molmil
The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and an AR 20-30 Peptide
Descriptor: Androgen receptor, GLYCEROL, SULFATE ION, ...
Authors:Gampe, R.T.
Deposit date:2007-06-07
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
2Q7L
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BU of 2q7l by Molmil
The Androgen Receptor Prostate Cancer Mutant H874Y Ligand Binding Domain Bound with Testosterone and a TIF2 box3 Coactivator Peptide 740-753
Descriptor: Androgen receptor, GLYCEROL, Nuclear receptor coactivator 2, ...
Authors:Gampe, R.T.
Deposit date:2007-06-07
Release date:2007-07-24
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Modulation of androgen receptor activation function 2 by testosterone and dihydrotestosterone.
J.Biol.Chem., 282, 2007
4IJH
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BU of 4ijh by Molmil
Fragment-based Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A
Descriptor: 3-chloro-6-[3-(4-fluorophenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]-1-benzothiophene-2-carboxylic acid, Replication protein A 70 kDa DNA-binding subunit
Authors:Feldkamp, M.D, Patrone, J.D, Kennedy, J.P, Frank, A.O, Vangamudi, B, Pelz, N.F, Rossanese, O.W, Waterson, A.G, Fesik, S.W, Chazin, W.J.
Deposit date:2012-12-21
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Discovery of Protein-Protein Interaction Inhibitors of Replication Protein A.
ACS MED.CHEM.LETT., 4, 2013

227111

数据于2024-11-06公开中

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