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3IPE
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BU of 3ipe by Molmil
Human Transthyretin (TTR) complexed with a palindromic bivalent amyloid inhibitor (7 carbon linker).
Descriptor: 2,2'-{heptane-1,7-diylbis[oxy(3,5-dichlorobenzene-4,1-diyl)imino]}dibenzoic acid, Transthyretin
Authors:Kolstoe, S.E, Wood, S.P, Pepys, M.B.
Deposit date:2009-08-17
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Trapping of palindromic ligands within native transthyretin prevents amyloid formation.
Proc.Natl.Acad.Sci.USA, 107, 2010
4N6H
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BU of 4n6h by Molmil
1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ...
Authors:Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
3HSA
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BU of 3hsa by Molmil
Crystal structure of pleckstrin homology domain (YP_926556.1) from SHEWANELLA AMAZONENSIS SB2B at 1.99 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, GLYCEROL, pleckstrin homology domain
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-06-10
Release date:2009-06-23
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Bacterial pleckstrin homology domains: a prokaryotic origin for the PH domain.
J.Mol.Biol., 396, 2010
3IRB
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BU of 3irb by Molmil
Crystal structure of protein with unknown function from DUF35 family (13815350) from SULFOLOBUS SOLFATARICUS at 1.80 A resolution
Descriptor: ACETIC ACID, SULFATE ION, ZINC ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-08-21
Release date:2009-09-01
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The structure of SSO2064, the first representative of Pfam family PF01796, reveals a novel two-domain zinc-ribbon OB-fold architecture with a potential acyl-CoA-binding role.
Acta Crystallogr.,Sect.F, 66, 2010
3I4B
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BU of 3i4b by Molmil
Crystal structure of GSK3b in complex with a pyrimidylpyrrole inhibitor
Descriptor: Glycogen synthase kinase-3 beta, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide
Authors:Ter Haar, E.
Deposit date:2009-07-01
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3HWK
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BU of 3hwk by Molmil
Crystal structure of methylcitrate synthase from Mycobacterium tuberculosis
Descriptor: Methylcitrate synthase, SUCCINIC ACID
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3ICO
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BU of 3ico by Molmil
Crystal structure of 6-phosphogluconolactonase from Mycobacterium tuberculosis
Descriptor: 6-phosphogluconolactonase, SULFATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-07-17
Release date:2009-07-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3H0N
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BU of 3h0n by Molmil
Crystal structure of a duf1470 family protein (jann_2411) from jannaschia sp. ccs1 at 1.45 A resolution
Descriptor: ACETATE ION, GLYCEROL, NICKEL (II) ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-09
Release date:2009-04-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The structure of Jann_2411 (DUF1470) from Jannaschia sp. at 1.45  resolution reveals a new fold (the ABATE domain) and suggests its possible role as a transcription regulator.
Acta Crystallogr.,Sect.F, 66, 2010
3GVC
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BU of 3gvc by Molmil
Crystal structure of probable short-chain dehydrogenase-reductase from Mycobacterium tuberculosis
Descriptor: Probable short-chain type dehydrogenase/reductase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-30
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3I60
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BU of 3i60 by Molmil
Crystal structure of ERK2 bound to (S)-4-(2-(2-chlorophenylamino)-5-methylpyrimidin-4-yl)-N-(2-hydroxy-1-phenylethyl)-1H-pyrrole-2-carboxamide
Descriptor: 4-{2-[(2-chlorophenyl)amino]-5-methylpyrimidin-4-yl}-N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrrole-2-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3GWA
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BU of 3gwa by Molmil
1.6 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3H7F
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BU of 3h7f by Molmil
Crystal structure of serine hydroxymethyltransferase from Mycobacterium tuberculosis
Descriptor: MAGNESIUM ION, Serine hydroxymethyltransferase 1
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-04-24
Release date:2009-05-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3HBZ
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BU of 3hbz by Molmil
Crystal structure of a putative glycoside hydrolase (bt_2081) from bacteroides thetaiotaomicron vpi-5482 at 2.05 A resolution
Descriptor: ACETATE ION, CACODYLATE ION, CALCIUM ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-05-05
Release date:2009-05-26
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structure of Bacteroides thetaiotaomicron BT2081 at 2.05 A resolution: the first structural representative of a new protein family that may play a role in carbohydrate metabolism.
Acta Crystallogr.,Sect.F, 66, 2010
3GWE
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BU of 3gwe by Molmil
2.1 Angstrom crystal structure of 3-oxoacyl-(acyl-carrier-protein) synthase III
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) synthase III
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-03-31
Release date:2009-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
3HE2
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BU of 3he2 by Molmil
Crystal structure of enoyl-CoA hydratase from Mycobacterium tuberculosis
Descriptor: TRIETHYLENE GLYCOL, enoyl-CoA hydratase echA6
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-05-07
Release date:2009-06-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3JZF
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BU of 3jzf by Molmil
Crystal structure of biotin carboxylase from E. Coli in complex with benzimidazoles series
Descriptor: 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide, Biotin carboxylase, CARBONATE ION
Authors:Orth, P.
Deposit date:2009-09-23
Release date:2009-11-03
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Discovery and optimization of antibacterial AccC inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3K5J
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BU of 3k5j by Molmil
Crystal structure of Putative SUFU (suppressor of fused protein) homolog (YP_208451.1) from Neisseria gonorrhoeae FA 1090 at 1.40 A resolution
Descriptor: GLYCEROL, SULFATE ION, Suppressor of fused family protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-10-07
Release date:2010-01-26
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:The crystal structure of a bacterial Sufu-like protein defines a novel group of bacterial proteins that are similar to the N-terminal domain of human Sufu.
Protein Sci., 19, 2010
3HZG
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BU of 3hzg by Molmil
Crystal structure of mycobacterium tuberculosis thymidylate synthase X bound with FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PHOSPHATE ION, ...
Authors:Staker, B.L, Rathod, P, Hunter, J, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-23
Release date:2009-07-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
3I5Z
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BU of 3i5z by Molmil
Crystal structure of ERK2 bound to (S)-N-(2-hydroxy-1-phenylethyl)-4-(5-methyl-2-(phenylamino)pyrimidin-4-yl)-1H-pyrrole-2-carboxamide
Descriptor: Mitogen-activated protein kinase 1, N-[(1S)-2-hydroxy-1-phenylethyl]-4-[5-methyl-2-(phenylamino)pyrimidin-4-yl]-1H-pyrrole-2-carboxamide, SULFATE ION
Authors:Jacobs, M.D, Xie, X.
Deposit date:2009-07-06
Release date:2010-01-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of potent and selective pyrimidylpyrrole inhibitors of extracellular signal-regulated kinase (ERK) using conformational control.
J.Med.Chem., 52, 2009
3HWI
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BU of 3hwi by Molmil
Crystal structure of probable thiosulfate sulfurtransferase Cysa2 (Rhodanese-like protein) from Mycobacterium tuberculosis
Descriptor: Thiosulfate sulfurtransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2009-06-17
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
1E67
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BU of 1e67 by Molmil
Zn-Azurin from Pseudomonas aeruginosa
Descriptor: AZURIN, NITRATE ION, ZINC ION
Authors:Nar, H, Messerschmidt, A.
Deposit date:2000-08-09
Release date:2000-08-16
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Characterization and Crystal Structure of Zinc Azurin, a by-Product of Heterologous Expression in Escherichia Coli of Pseudomonas Aeruginosa Copper Azurin
Eur.J.Biochem., 205, 1992
1E5Y
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BU of 1e5y by Molmil
Azurin from Pseudomonas aeruginosa, reduced form, pH 5.5
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Nar, H, Messerschmidt, A.
Deposit date:2000-08-04
Release date:2000-08-19
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rontgenkristallographische Strukturaufklarung Von Azurin Aus Pseudomonas Aeruginosa
Ph.D. Thesis, 1992
1D7E
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BU of 1d7e by Molmil
CRYSTAL STRUCTURE OF THE P65 CRYSTAL FORM OF PHOTOACTIVE YELLOW PROTEIN
Descriptor: 4'-HYDROXYCINNAMIC ACID, PHOTOACTIVE YELLOW PROTEIN
Authors:Van Aalten, D.M.F, Crielaard, W, Hellingwerf, K.J, Joshua-Tor, L.
Deposit date:1999-10-17
Release date:2000-03-31
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Conformational substates in different crystal forms of the photoactive yellow protein--correlation with theoretical and experimental flexibility.
Protein Sci., 9, 2000
3MBM
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BU of 3mbm by Molmil
Crystal structure of 2C-methyl-D-erythritol 2,4-cyclodiphosphate synthase from Burkholderia pseudomallei with cytosine and FoL fragment 717, imidazo[2,1-b][1,3]thiazol-6-ylmethanol
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 6-AMINOPYRIMIDIN-2(1H)-ONE, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2010-03-25
Release date:2010-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Leveraging structure determination with fragment screening for infectious disease drug targets: MECP synthase from Burkholderia pseudomallei.
J Struct Funct Genomics, 12, 2011
1E5Z
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BU of 1e5z by Molmil
Azurin from Pseudomonas aeruginosa, reduced form, pH 9.0
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Nar, H, Messerschmidt, A.
Deposit date:2000-08-04
Release date:2000-08-19
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Rontgenkristallographische Strukturaufklarung Von Azurin Aus Pseudomonas Aeruginosa
Ph.D. Thesis, 1992

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數據於2024-09-18公開中

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