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4OVG
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BU of 4ovg by Molmil
E. coli sliding clamp in complex with (R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-9-(2-amino-2-oxoethyl)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
4OW1
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BU of 4ow1 by Molmil
Crystal Structure of Resuscitation Promoting Factor C
Descriptor: 1,2-ETHANEDIOL, Resuscitation-promoting factor RpfC
Authors:Chauviac, F.X, Quay, D.H.X, Cohen-Gonsaud, M, Keep, N.H.
Deposit date:2014-01-29
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The RpfC (Rv1884) atomic structure shows high structural conservation within the resuscitation-promoting factor catalytic domain.
Acta Crystallogr.,Sect.F, 70, 2014
4OVF
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BU of 4ovf by Molmil
E. coli sliding clamp in complex with (R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
3LKY
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BU of 3lky by Molmil
Monomeric Griffithsin with a Single Gly-Ser Insertion
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.11 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3LL2
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BU of 3ll2 by Molmil
Monomeric Griffithsin in Complex with a High-Mannose Branched Carbohydrate
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Griffithsin, ...
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
3LL0
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BU of 3ll0 by Molmil
Monomeric Griffithsin with two Gly-Ser Insertions
Descriptor: GLYCEROL, Griffithsin, SULFATE ION
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
4FS4
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BU of 4fs4 by Molmil
Structure of BACE Bound to (S)-4-(3'-methoxy-[1,1'-biphenyl]-3-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (6S)-2-amino-6-(3'-methoxybiphenyl-3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-4(3H)-one, Beta-secretase 1, L(+)-TARTARIC ACID
Authors:Strickland, C, Stamford, A.
Deposit date:2012-06-26
Release date:2012-10-10
Last modified:2014-07-23
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
3KZ1
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BU of 3kz1 by Molmil
Crystal Structure of the Complex of PDZ-RhoGEF DH/PH domains with GTP-gamma-S Activated RhoA
Descriptor: 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE, MAGNESIUM ION, Rho guanine nucleotide exchange factor 11, ...
Authors:Chen, Z, Sternweis, P.C, Sprang, S.R.
Deposit date:2009-12-07
Release date:2010-04-28
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Activated RhoA binds to the pleckstrin homology (PH) domain of PDZ-RhoGEF, a potential site for autoregulation.
J.Biol.Chem., 285, 2010
4OVH
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BU of 4ovh by Molmil
E. coli sliding clamp in complex with (R)-6-bromo-9-(2-(carboxymethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
Descriptor: (2R)-6-bromo-9-{2-[(carboxymethyl)amino]-2-oxoethyl}-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Yin, Z, Oakley, A.J.
Deposit date:2014-02-21
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
J.Med.Chem., 58, 2015
3LL1
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BU of 3ll1 by Molmil
Monomeric Griffithsin with a Single Gly-Ser Insertion and Mutations to Remove Residual Self-Association
Descriptor: CHLORIDE ION, Griffithsin
Authors:Moulaei, T, Wlodawer, A.
Deposit date:2010-01-28
Release date:2010-10-06
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Monomerization of viral entry inhibitor griffithsin elucidates the relationship between multivalent binding to carbohydrates and anti-HIV activity.
Structure, 18, 2010
7KM5
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BU of 7km5 by Molmil
Crystal structure of SARS-CoV-2 RBD complexed with Nanosota-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Spike protein S1, ...
Authors:Ye, G, Shi, K, Aihara, H, Li, F.
Deposit date:2020-11-02
Release date:2021-08-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:The development of Nanosota - 1 as anti-SARS-CoV-2 nanobody drug candidates.
Elife, 10, 2021
4DUS
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BU of 4dus by Molmil
Structure of Bace-1 (Beta-Secretase) in complex with N-((2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-((6'-neopentyl-3',4'-dihydrospiro[cyclobutane-1,2'-pyrano[2,3-b]pyridin]-4'-yl)amino)butan-2-yl)acetamide
Descriptor: Beta-secretase 1, GLYCEROL, IODIDE ION, ...
Authors:Sickmier, E.A.
Deposit date:2012-02-22
Release date:2012-10-10
Last modified:2014-07-02
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A Potent and Orally Efficacious, Hydroxyethylamine-Based Inhibitor of beta-Secretase.
ACS Med Chem Lett, 3, 2012
1OV9
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BU of 1ov9 by Molmil
Crystal structure of the N-terminal dimerisation domain of VicH, the H-NS protein from Vibrio cholerae
Descriptor: VicH protein
Authors:Cerdan, R, Bloch, V, Arold, S.T.
Deposit date:2003-03-26
Release date:2003-11-25
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Crystal Structure of the N-terminal dimerisation domain of VicH, the H-NS-like protein of Vibrio Cholerae
J.Mol.Biol., 334, 2003
2AVG
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BU of 2avg by Molmil
NMR structure of cC1 domain from Human Cardiac Myosin Binding Protein C
Descriptor: Myosin-binding protein C, cardiac-type
Authors:Ababou, A, Gautel, M, Pfuhl, M.
Deposit date:2005-08-30
Release date:2006-09-05
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Myosin binding protein C positioned to play a key role in regulation of muscle contraction: structure and interactions of domain C1.
J.Mol.Biol., 384, 2008
2BAS
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BU of 2bas by Molmil
Crystal Structure of the Bacillus subtilis YkuI Protein, with an EAL Domain.
Descriptor: BETA-MERCAPTOETHANOL, YkuI protein
Authors:Minasov, G, Brunzelle, J.S, Shuvalova, L, Miller, D.J, Collart, F.R, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2005-10-14
Release date:2005-11-29
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Crystal structures of YkuI and its complex with second messenger cyclic Di-GMP suggest catalytic mechanism of phosphodiester bond cleavage by EAL domains.
J.Biol.Chem., 284, 2009
2IEE
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BU of 2iee by Molmil
Crystal Structure of YCKB_BACSU from Bacillus subtilis. Northeast Structural Genomics Consortium target SR574.
Descriptor: Probable ABC transporter extracellular-binding protein yckB
Authors:Kuzin, A.P, Su, M, Jayaraman, S, Chen, X.C, Jang, M, Cunningham, K, Ma, C, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2006-09-18
Release date:2006-10-03
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of probable ABC transporter extracellular-binding protein yckB from Bacillus subtilis.
To be Published
3B5D
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BU of 3b5d by Molmil
EmrE multidrug transporter in complex with TPP, C2 crystal form
Descriptor: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
Authors:Chang, G, Chen, Y.J.
Deposit date:2007-10-25
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3B62
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BU of 3b62 by Molmil
EmrE multidrug transporter in complex with P4P, P21 crystal form
Descriptor: Multidrug transporter emrE, TETRAPHENYLPHOSPHONIUM
Authors:Chang, G, Chen, Y.J.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.4 Å)
Cite:X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
3B61
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BU of 3b61 by Molmil
EmrE multidrug transporter, apo crystal form
Descriptor: Multidrug transporter emrE
Authors:Chang, G, Chen, Y.J.
Deposit date:2007-10-26
Release date:2007-12-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (4.5 Å)
Cite:X-ray structure of EmrE supports dual topology model.
Proc.Natl.Acad.Sci.Usa, 104, 2007
7D7S
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BU of 7d7s by Molmil
HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant
Descriptor: Protein Nef, Tyrosine-protein kinase Fyn
Authors:Aldehaiman, A, Shahul Hamed, U.F, Arold, S.T.
Deposit date:2020-10-05
Release date:2020-11-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.32 Å)
Cite:Synergy and allostery in ligand binding by HIV-1 Nef.
Biochem.J., 478, 2021
4KIE
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BU of 4kie by Molmil
Crystal structure of the EAL domain of c-di-GMP specific phosphodiesterase YahA
Descriptor: Cyclic di-GMP phosphodiesterase YahA, TRIETHYLENE GLYCOL
Authors:Sundriyal, A, Schirmer, T.
Deposit date:2013-05-02
Release date:2014-01-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Inherent Regulation of EAL Domain-catalyzed Hydrolysis of Second Messenger Cyclic di-GMP.
J.Biol.Chem., 289, 2014
1QA5
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BU of 1qa5 by Molmil
MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
Descriptor: PROTEIN (MYRISTOYLATED HIV-1 NEF ANCHOR DOMAIN (MYRISTATE-GLY2 TO TRP57))
Authors:Geyer, M, Kalbitzer, H.R.
Deposit date:1999-04-12
Release date:1999-05-26
Last modified:2022-12-21
Method:SOLUTION NMR
Cite:Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
1NSP
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BU of 1nsp by Molmil
MECHANISM OF PHOSPHATE TRANSFER BY NUCLEOSIDE DIPHOSPHATE KINASE: X-RAY STRUCTURES OF A PHOSPHO-HISTIDINE INTERMEDIATE OF THE ENZYMES FROM DROSOPHILA AND DICTYOSTELIUM
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Janin, J, Morera, S, Chiadmi, M, Lebras, G, Lascu, I.
Deposit date:1995-04-18
Release date:1995-07-10
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of phosphate transfer by nucleoside diphosphate kinase: X-ray structures of the phosphohistidine intermediate of the enzymes from Drosophila and Dictyostelium.
Biochemistry, 34, 1995
1QA4
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BU of 1qa4 by Molmil
HIV-1 NEF ANCHOR DOMAIN, NMR, 2 STRUCTURES
Descriptor: Protein Nef
Authors:Geyer, M, Kalbitzer, H.R.
Deposit date:1999-04-12
Release date:1999-05-26
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Structure of the anchor-domain of myristoylated and non-myristoylated HIV-1 Nef protein.
J.Mol.Biol., 289, 1999
1NCL
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BU of 1ncl by Molmil
THERMAL STABILITY OF HEXAMERIC AND TETRAMERIC NUCLEOSIDE, DIPHOSPHATE KINASES
Descriptor: NUCLEOSIDE DIPHOSPHATE KINASE
Authors:Janin, J, Morera, S, Lascu, I.
Deposit date:1996-03-22
Release date:1996-11-08
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Thermal stability of hexameric and tetrameric nucleoside diphosphate kinases. Effect of subunit interaction.
J.Biol.Chem., 271, 1996

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