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1OWD
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BU of 1owd by Molmil
Substituted 2-Naphthamidine inhibitors of urokinase
Descriptor: 6-[AMINO(IMINO)METHYL]-N-[(4R)-4-ETHYL-1,2,3,4-TETRAHYDROISOQUINOLIN-6-YL]-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
Authors:Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
2J78
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BU of 2j78 by Molmil
Beta-glucosidase from Thermotoga maritima in complex with gluco- hydroximolactam
Descriptor: (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Gloster, T.M, Zechel, D, Vasella, A, Davies, G.J.
Deposit date:2006-10-06
Release date:2006-10-18
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Glycosidase Inhibition: An Assessment of the Binding of 18 Putative Transition-State Mimics.
J.Am.Chem.Soc., 129, 2007
4I5U
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BU of 4i5u by Molmil
Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ...
Authors:Arnold, F.H, Wu, I.
Deposit date:2012-11-29
Release date:2013-04-03
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
4MPZ
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BU of 4mpz by Molmil
Crystal structure of TCP10c domain of Drosophila melanogaster Sas-4
Descriptor: IMIDAZOLE, Sas-4
Authors:Li, H, Zheng, X.
Deposit date:2013-09-14
Release date:2014-01-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.701 Å)
Cite:The conserved TCP domain of Sas-4/CPAP is essential for Peri-centriolar material tethering during centrosome biogenesis
Proc.Natl.Acad.Sci.USA, 2014
4MQB
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BU of 4mqb by Molmil
Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, TETRAETHYLENE GLYCOL, Thymidylate kinase
Authors:Filippova, E.V, Minasov, G, Shuvalova, L, Kiryukhina, O, Jedrzejczak, R, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2013-09-16
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of thymidylate kinase from Staphylococcus aureus in complex with 2-(N-morpholino)ethanesulfonic acid
To be Published
4E84
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BU of 4e84 by Molmil
Crystal Structure of Burkholderia cenocepacia HldA
Descriptor: 1,7-di-O-phosphono-D-glycero-beta-D-manno-heptopyranose, 7-O-phosphono-D-glycero-beta-D-manno-heptopyranose, CHLORIDE ION, ...
Authors:Lee, T.-W, Junop, M.S.
Deposit date:2012-03-19
Release date:2012-12-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural-functional studies of Burkholderia cenocepacia D-glycero-beta-D-manno-heptose 7-phosphate kinase (HldA) and characterization of inhibitors with antibiotic adjuvant and antivirulence properties.
J.Med.Chem., 56, 2013
4LHT
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BU of 4lht by Molmil
Crystal Structure of P450cin Y81F mutant, crystallized in 3 mM 1,8-cineole
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Madrona, Y, Poulos, T.L.
Deposit date:2013-07-01
Release date:2013-07-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.137 Å)
Cite:P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
4L77
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BU of 4l77 by Molmil
P450cin Active Site Water: Implications for Substrate Binding and Solvent Accessibility
Descriptor: 1,3,3-TRIMETHYL-2-OXABICYCLO[2.2.2]OCTANE, DI(HYDROXYETHYL)ETHER, P450cin, ...
Authors:Madrona, Y, Poulos, T.L.
Deposit date:2013-06-13
Release date:2013-07-24
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:P450cin active site water: implications for substrate binding and solvent accessibility.
Biochemistry, 52, 2013
4EDV
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BU of 4edv by Molmil
The structure of the S. aureus DnaG RNA Polymerase Domain bound to pppGpp and Manganese
Descriptor: BENZAMIDINE, DNA primase, MANGANESE (II) ION, ...
Authors:Rymer, R.U, Solorio, F.A, Chu, C, Corn, J.E, Wang, J.D, Berger, J.M.
Deposit date:2012-03-27
Release date:2012-07-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Binding Mechanism of Metal-NTP Substrates and Stringent-Response Alarmones to Bacterial DnaG-Type Primases.
Structure, 20, 2012
4EE7
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BU of 4ee7 by Molmil
Crystal Structure of the Novel Phenazine Prenyltransferase EpzP in complex with S-thiolodiphosphate (methylated)
Descriptor: CHLORIDE ION, Prenyltransferase, SULFATE ION, ...
Authors:Zocher, G, Stehle, T.
Deposit date:2012-03-28
Release date:2012-11-14
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structure-based engineering increased the catalytic turnover rate of a novel phenazine prenyltransferase.
Plos One, 7, 2012
4I3Y
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BU of 4i3y by Molmil
Crystal structure of Staphylococcal inositol monophosphatase-1: 100 mM LiCl soaked inhibitory complex
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2012-11-26
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
3EF0
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BU of 3ef0 by Molmil
The Structure of Fcp1, an essential RNA polymerase II CTD phosphatase
Descriptor: MAGNESIUM ION, RNA polymerase II subunit A C-terminal domain phosphatase, TETRAFLUOROALUMINATE ION
Authors:Ghosh, A, Lima, C.D.
Deposit date:2008-09-07
Release date:2008-12-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The structure of Fcp1, an essential RNA polymerase II CTD phosphatase.
Mol.Cell, 32, 2008
4I5R
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BU of 4i5r by Molmil
Crystal structure of a fungal chimeric cellobiohydrolase Cel6A
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Chimeric cel6A, ...
Authors:Arnold, F.H, Wu, I.
Deposit date:2012-11-28
Release date:2013-04-03
Last modified:2017-08-09
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineered thermostable fungal Cel6A and Cel7A cellobiohydrolases hydrolyze cellulose efficiently at elevated temperatures.
Biotechnol.Bioeng., 110, 2013
3WA3
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BU of 3wa3 by Molmil
Crystal structure of copper amine oxidase from arthrobacter globiformis in N2 condition
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
3EMJ
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BU of 3emj by Molmil
2.2 A crystal structure of inorganic pyrophosphatase from rickettsia prowazekii (p21 form)
Descriptor: Inorganic pyrophosphatase, TETRAETHYLENE GLYCOL
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2008-09-24
Release date:2008-10-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:2.2 A crystal structure of inorganic pyrophosphatase from rickettsia prowazekii (p21 form)
To be Published
4LD1
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BU of 4ld1 by Molmil
Structural analysis of the microcephaly protein CPAP G-box domain suggests a role in centriole elongation.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, NITRATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Hatzopoulos, G.N, Vakonakis, I.
Deposit date:2013-06-24
Release date:2013-09-04
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Structural analysis of the G-box domain of the microcephaly protein CPAP suggests a role in centriole architecture.
Structure, 21, 2013
3EI3
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BU of 3ei3 by Molmil
Structure of the hsDDB1-drDDB2 complex
Descriptor: DNA damage-binding protein 1, DNA damage-binding protein 2, TETRAETHYLENE GLYCOL
Authors:Scrima, A, Thoma, N.H.
Deposit date:2008-09-15
Release date:2009-01-20
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of UV DNA-damage recognition by the DDB1-DDB2 complex.
Cell(Cambridge,Mass.), 135, 2008
3EJN
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BU of 3ejn by Molmil
CRYSTAL STRUCTURE OF A SUSD HOMOLOG (BF3025) FROM BACTEROIDES FRAGILIS NCTC 9343 AT 1.50 A RESOLUTION
Descriptor: FORMIC ACID, MAGNESIUM ION, SusD homolog, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-09-18
Release date:2008-09-30
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of SusD homolog (YP_212639.1) from Bacteroides fragilis NCTC 9343 at 1.50 A resolution
To be published
3EN8
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BU of 3en8 by Molmil
Crystal structure of NTF-2 like protein of unknown function (YP_553245.1) from BURKHOLDERIA XENOVORANS LB400 at 1.85 A resolution
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-09-25
Release date:2008-10-07
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of NTF-2 like protein of unknown function (YP_553245.1) from BURKHOLDERIA XENOVORANS LB400 at 1.85 A resolution
To be published
2IEH
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BU of 2ieh by Molmil
Crystal structure of human kinesin Eg5 in complex with (R)-mon97, a new monastrol-based inhibitor that binds as (R)-enantiomer
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, Kinesin-like protein KIF11, ...
Authors:Garcia-Saez, I, Kozielski, F.
Deposit date:2006-09-19
Release date:2007-01-23
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure of human Eg5 in complex with a new monastrol-based inhibitor bound in the R configuration.
J.Biol.Chem., 282, 2007
3WA2
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BU of 3wa2 by Molmil
High resolution crystal structure of copper amine oxidase from arthrobacter globiformis
Descriptor: 1,2-ETHANEDIOL, COPPER (II) ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Murakawa, T, Hayashi, H, Sunami, T, Kurihara, K, Tamada, T, Kuroki, R, Suzuki, M, Tanizawa, K, Okajima, T.
Deposit date:2013-04-22
Release date:2013-09-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:High-resolution crystal structure of copper amine oxidase from Arthrobacter globiformis: assignment of bound diatomic molecules as O2
Acta Crystallogr.,Sect.D, 69, 2013
1C3W
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BU of 1c3w by Molmil
BACTERIORHODOPSIN/LIPID COMPLEX AT 1.55 A RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, BACTERIORHODOPSIN (GROUND STATE WILD TYPE "BR"), ...
Authors:Luecke, H.
Deposit date:1999-07-28
Release date:1999-09-15
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of bacteriorhodopsin at 1.55 A resolution.
J.Mol.Biol., 291, 1999
1OWK
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BU of 1owk by Molmil
Substituted 2-Naphthamidine Inhibitors of Urokinase
Descriptor: 6-[(Z)-AMINO(IMINO)METHYL]-N-(1-ISOPROPYL-1,2,3,4-TETRAHYDROISOQUINOLIN-7-YL)-2-NAPHTHAMIDE, Urokinase-type plasminogen activator
Authors:Wendt, M.D, Rockway, T.W, Geyer, A, McClellan, W, Weitzberg, M, Zhao, X, Mantei, R, Nienaber, V.L, Stewart, K, Klinghofer, V, Giranda, V.L.
Deposit date:2003-03-28
Release date:2003-09-30
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of Novel Binding Interactions in the Development of Potent, Selective 2-Naphthamidine Inhibitors of Urokinase. Synthesis, Structural Analysis, and SAR of N-Phenyl Amide 6-Substitution.
J.Med.Chem., 47, 2004
4LGQ
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BU of 4lgq by Molmil
Crystal structure of a putative polyketide cyclase (CV_0247) from Chromobacterium violaceum ATCC 12472 at 2.72 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2013-06-28
Release date:2013-07-24
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Crystal structure of a putative polyketide cyclase (CV_0247) from Chromobacterium violaceum ATCC 12472 at 2.72 A resolution
To be published
3ET4
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BU of 3et4 by Molmil
Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase
Descriptor: MAGNESIUM ION, Outer membrane protein P4, NADP phosphatase, ...
Authors:Tanner, J.J.
Deposit date:2008-10-06
Release date:2008-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase Reveals a New Member of the Haloacid Dehalogenase Superfamily.
Biochemistry, 46, 2007

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数据于2024-07-17公开中

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