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3IJ3
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BU of 3ij3 by Molmil
1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Cytosol aminopeptidase, ...
Authors:Minasov, G, Halavaty, A, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2009-08-03
Release date:2009-08-11
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:1.8 Angstrom Resolution Crystal Structure of Cytosol Aminopeptidase from Coxiella burnetii
TO BE PUBLISHED
4TQI
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BU of 4tqi by Molmil
Human transthyretin (TTR) complexed with 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid in a dual binding mode
Descriptor: (2S)-3-[(9H-fluoren-9-ylideneamino)oxy]-2-methylpropanoic acid, GLYCEROL, Transthyretin
Authors:Stura, E.A, Ciccone, L, Nencetti, S, Rossello, A, Orlandini, E.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
3ISU
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BU of 3isu by Molmil
Crystal structure of the RGC domain of IQGAP3
Descriptor: Ras GTPase-activating-like protein IQGAP3
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-27
Release date:2009-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structure of the RGC domain of IQGAP3
to be published
4QSK
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BU of 4qsk by Molmil
Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ...
Authors:Choi, P.H, Tong, L.
Deposit date:2014-07-04
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
3LB0
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BU of 3lb0 by Molmil
Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Citrate Bound to the Active Site.
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-dehydroquinate dehydratase, CITRIC ACID, ...
Authors:Minasov, G, Light, S.H, Shuvalova, L, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-07
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of the 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 with Citrate Bound to the Active Site.
TO BE PUBLISHED
4QSH
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BU of 4qsh by Molmil
Crystal Structure of L. monocytogenes Pyruvate Carboxylase in complex with Cyclic-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CITRATE ANION, MANGANESE (II) ION, ...
Authors:Choi, P.H, Tong, L.
Deposit date:2014-07-04
Release date:2014-10-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:The Cyclic Dinucleotide c-di-AMP Is an Allosteric Regulator of Metabolic Enzyme Function.
Cell(Cambridge,Mass.), 158, 2014
6JV3
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BU of 6jv3 by Molmil
Crystal structure of 5-hydoxylmethylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(5HC)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L, Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.851 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
3LIL
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BU of 3lil by Molmil
Human MMP12 in complex with non-zinc chelating inhibitor
Descriptor: ACETOHYDROXAMIC ACID, CALCIUM ION, Macrophage metalloelastase, ...
Authors:Stura, E.A, Dive, V, Devel, L, Czarny, B, Vera, L, Beau, F.
Deposit date:2010-01-25
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Insights from selective non-phosphinic inhibitors of MMP-12 tailored to fit with an S1' loop canonical conformation.
J.Biol.Chem., 285, 2010
2ETI
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BU of 2eti by Molmil
USE OF RESTRAINED MOLECULAR DYNAMICS IN WATER TO DETERMINE THREE-DIMENSIONAL PROTEIN STRUCTURE: PREDICTION OF THE THREE-DIMENSIONAL STRUCTURE OF ECBALLIUM ELATERIUM TRYPSIN INHIBITOR II
Descriptor: TRYPSIN INHIBITOR II
Authors:Heitz, A, Chiche, L, Le-Nguyen, D, Castro, B.
Deposit date:1991-07-15
Release date:1991-10-15
Last modified:2022-03-09
Method:SOLUTION NMR
Cite:Use of restrained molecular dynamics in water to determine three-dimensional protein structure: prediction of the three-dimensional structure of Ecballium elaterium trypsin inhibitor II.
Proteins, 6, 1989
3GU3
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BU of 3gu3 by Molmil
Crystal Structure of the methyltransferase BC_2162 in complex with S-Adenosyl-L-Homocysteine from Bacillus cereus, Northeast Structural Genomics Consortium Target BcR20
Descriptor: ACETATE ION, Methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Forouhar, F, Neely, H, Seetharaman, J, Ciano, C, Ma, L, Zhao, L, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-03-28
Release date:2009-04-07
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Northeast Structural Genomics Consortium Target BcR20
To be Published
6JV5
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BU of 6jv5 by Molmil
Crystal structure of 5-methylcytosine containing decamer dsDNA
Descriptor: DNA (5'-D(*CP*CP*AP*GP*(5CM)P*GP*CP*TP*GP*G)-3')
Authors:Zhang, L, Wang, Y.X.
Deposit date:2019-04-15
Release date:2019-07-31
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Thymine DNA glycosylase recognizes the geometry alteration of minor grooves induced by 5-formylcytosine and 5-carboxylcytosine.
Chem Sci, 10, 2019
4TNE
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BU of 4tne by Molmil
Crystal Structure of Human Transthyretin Thr119Tyr Mutant
Descriptor: GLYCEROL, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-06-03
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4TQ8
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BU of 4tq8 by Molmil
Dual binding mode for 3-(9H-fluoren-9-ylideneaminooxy)propanoic acid binding to Human transthyretin (TTR)
Descriptor: 1,2-ETHANEDIOL, 3-[(9H-fluoren-9-ylideneamino)oxy]propanoic acid, Transthyretin
Authors:Ciccone, L, Orlandini, E, Nencetti, S, Rossello, A, Stura, E.A.
Deposit date:2014-06-10
Release date:2015-06-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:X-ray crystal structure and activity of fluorenyl-based compounds as transthyretin fibrillogenesis inhibitors.
J Enzyme Inhib Med Chem, 2015
1QNW
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BU of 1qnw by Molmil
lectin II from Ulex europaeus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHITIN BINDING LECTIN, ...
Authors:Loris, R, De Greve, H, Dao-Thi, M.-H, Messens, J, Imberty, A, Wyns, L.
Deposit date:1999-10-22
Release date:1999-11-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of Carbohydrate Recognition by Lectin II from Ulex Europaeus, a Protein with a Promiscuous Carbohydrate Binding Site
J.Mol.Biol., 301, 2000
3FIA
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BU of 3fia by Molmil
Crystal structure of the EH 1 domain from human intersectin-1 protein. Northeast Structural Genomics Consortium target HR3646e.
Descriptor: CALCIUM ION, Intersectin-1, SULFATE ION
Authors:Vorobiev, S.M, Chen, Y, Seetharaman, J, Devices, C, Zhao, L, Foote, E.L, Ciccosanti, C, Mao, L, Xiao, R, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-12-11
Release date:2008-12-30
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Crystal structure of the EH 1 domain from human intersectin-1 protein.
To be Published
4RWX
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BU of 4rwx by Molmil
Crystal Structure of L. monocytogenes PstA
Descriptor: Lmo2692 protein
Authors:Choi, P.H, Tong, L.
Deposit date:2014-12-07
Release date:2014-12-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Molecular basis for the recognition of cyclic-di-AMP by PstA, a PII -like signal transduction protein.
Microbiologyopen, 4, 2015
4TLS
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BU of 4tls by Molmil
Crystal Structure of Human Transthyretin Glu92Pro Mutant
Descriptor: GLYCEROL, PHOSPHATE ION, SODIUM ION, ...
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-30
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
4S1B
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BU of 4s1b by Molmil
Crystal Structure of L. monocytogenes phosphodiesterase PgpH HD domain in complex with Cyclic-di-AMP
Descriptor: (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, FE (III) ION, Lmo1466 protein
Authors:Luo, S, Tong, L.
Deposit date:2015-01-12
Release date:2015-02-11
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.099 Å)
Cite:An HD-domain phosphodiesterase mediates cooperative hydrolysis of c-di-AMP to affect bacterial growth and virulence.
Proc.Natl.Acad.Sci.USA, 112, 2015
4TL5
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BU of 4tl5 by Molmil
Crystal Structure of Human Transthyretin Ser85Pro Mutant
Descriptor: CHLORIDE ION, SODIUM ION, Transthyretin
Authors:Saelices, L, Cascio, D, Sawaya, M, Eisenberg, D.S.
Deposit date:2014-05-28
Release date:2015-10-21
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Uncovering the Mechanism of Aggregation of Human Transthyretin.
J.Biol.Chem., 290, 2015
3KW6
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BU of 3kw6 by Molmil
Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
Descriptor: 26S protease regulatory subunit 8
Authors:Seetharaman, J, Su, M, Wang, D, Janjua, H, Cunningham, K, Owens, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-30
Release date:2009-12-22
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structure of a domain of 26S proteasome regulatory subunit 8 from homo sapiens. Northeast Structural Genomics Consortium target id HR3102A
To be Published
1P4H
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BU of 1p4h by Molmil
Crystal structure of glycogen phosphorylase b in complex with C-(1-acetamido-alpha-D-glucopyranosyl) formamide
Descriptor: 1-DEOXY-1-ACETYLAMINO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE, Glycogen phosphorylase, muscle form, ...
Authors:Chrysina, E.D, Oikonomakos, N.G, Zographos, S.E, Kosmopoulou, M.N, Bischler, N, Leonidas, D.D, Nagy, V, Somsak, L, Gergely, P, Praly, J.-P.
Deposit date:2003-04-23
Release date:2004-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Crsytallographic Studies on alpha- and beta-D-glucopyranosyl Formamide Analogues, Inhibitors of Glycogen Phosphorylase
Biocatal.Biotransfor., 21, 2003
3L46
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BU of 3l46 by Molmil
Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
Descriptor: Protein ECT2, UNKNOWN ATOM OR ION
Authors:Nedyalkova, L, Tempel, W, Tong, Y, Crombet, L, Wang, H, Guan, X, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.482 Å)
Cite:Crystal structure of the second BRCT domain of epithelial cell transforming 2 (ECT2)
to be published
4S2M
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BU of 4s2m by Molmil
Crystal Structure of OXA-163 complexed with iodide in the active site
Descriptor: Beta-lactamase, IODIDE ION
Authors:Stojanoski, V, Hu, L, Palzkill, T.G, Prasad, B.
Deposit date:2015-01-21
Release date:2015-07-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structural Basis for Different Substrate Profiles of Two Closely Related Class D beta-Lactamases and Their Inhibition by Halogens.
Biochemistry, 54, 2015
3KVP
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BU of 3kvp by Molmil
Crystal Structure of Uncharacterized protein ymzC Precursor from Bacillus subtilis, Northeast Structural Genomics Consortium Target SR378A
Descriptor: ACETIC ACID, Uncharacterized protein ymzC
Authors:Kuzin, A.P, Chen, Y, Seetharaman, J, Afonine, P, Fang, F, Xiao, R, Cunningham, K, Ma, L, Chen, C.X, Everett, J.K, Nair, R, Acton, T.B, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2009-11-30
Release date:2010-02-02
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.404 Å)
Cite:Northeast Structural Genomics Consortium Target SR378A
To be Published
1QOO
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BU of 1qoo by Molmil
lectin UEA-II complexed with NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHITIN BINDING LECTIN, ...
Authors:Loris, R, De Greve, H, Dao-Thi, M.-H, Messens, J, Imberty, A, Wyns, L.
Deposit date:1999-11-15
Release date:1999-11-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structural Basis of Carbohydrate Recognition by Lectin II from Ulex Europaeus, a Protein with a Promiscuous Carbohydrate Binding Site
J.Mol.Biol., 301, 2000

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