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5HIA
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BU of 5hia by Molmil
Human hypoxanthine-guanine phosphoribosyltransferase in complex with [3R,4R]-4-guanin-9-yl-3-((S)-2-hydroxy-2-phosphonoethyl)oxy-1-N-(phosphonopropionyl)pyrrolidine
Descriptor: Hypoxanthine-guanine phosphoribosyltransferase, MAGNESIUM ION, [3-[(3~{R},4~{R})-3-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-4-[(2~{S})-2-oxidanyl-2-phosphono-ethoxy]pyrrolidin-1-y l]-3-oxidanylidene-propyl]phosphonic acid
Authors:Guddat, L.W, Keough, D.T, Rejman, D.
Deposit date:2016-01-11
Release date:2017-01-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Design of Plasmodium vivax Hypoxanthine-Guanine Phosphoribosyltransferase Inhibitors as Potential Antimalarial Therapeutics.
ACS Chem. Biol., 2017
1LMI
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BU of 1lmi by Molmil
1.5 ANGSTROM RESOLUTION CRYSTAL STRUCTURE OF A SECRETED PROTEIN FROM MYCOBACTERIUM TUBERCULOSIS-MPT63
Descriptor: Immunogenic protein MPT63/MPB63
Authors:Goulding, C.W, Parseghian, A, Sawaya, M.R, Cascio, D, Apostol, M, Gennaro, M.L, Eisenberg, D, TB Structural Genomics Consortium (TBSGC)
Deposit date:2002-05-01
Release date:2002-12-04
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a major secreted protein of Mycobacterium tuberculosis-MPT63 at 1.5-A resolution
Protein Sci., 11, 2002
3BCM
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BU of 3bcm by Molmil
Crystal Structure of The Unswapped Form of P19A/L28Q/N67D BS-RNase
Descriptor: PHOSPHATE ION, Seminal ribonuclease
Authors:Merlino, A, Ercole, C, Picone, D, Pizzo, E, Mazzarella, L, Sica, F.
Deposit date:2007-11-13
Release date:2008-02-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The buried diversity of bovine seminal ribonuclease: shape and cytotoxicity of the swapped non-covalent form of the enzyme
J.Mol.Biol., 376, 2008
2A3V
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BU of 2a3v by Molmil
Structural basis for broad DNA-specificity in integron recombination
Descriptor: DNA (31-MER), DNA (34-MER), site-specific recombinase IntI4
Authors:MacDonald, D, Demarre, G, Bouvier, M, Mazel, D, Gopaul, D.N.
Deposit date:2005-06-27
Release date:2006-05-02
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for broad DNA-specificity in integron recombination.
Nature, 440, 2006
1ATN
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BU of 1atn by Molmil
Atomic structure of the actin:DNASE I complex
Descriptor: ACTIN, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ...
Authors:Kabsch, W, Mannherz, H.G, Suck, D, Pai, E, Holmes, K.C.
Deposit date:1991-03-08
Release date:1992-07-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Atomic structure of the actin:DNase I complex.
Nature, 347, 1990
4RWD
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BU of 4rwd by Molmil
XFEL structure of the human delta opioid receptor in complex with a bifunctional peptide
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, OLEIC ACID, SODIUM ION, ...
Authors:Fenalti, G, Zatsepin, N.A, Betti, C, Giguere, P, Han, G.W, Ishchenko, A, Liu, W, Guillemyn, K, Zhang, H, James, D, Wang, D, Weierstall, U, Spence, J.C.H, Boutet, S, Messerschmidt, M, Williams, G.J, Gati, C, Yefanov, O.M, White, T.A, Oberthuer, D, Metz, M, Yoon, C.H, Barty, A, Chapman, H.N, Basu, S, Coe, J, Conrad, C.E, Fromme, R, Fromme, P, Tourwe, D, Schiller, P.W, Roth, B.L, Ballet, S, Katritch, V, Stevens, R.C, Cherezov, V, GPCR Network (GPCR)
Deposit date:2014-12-02
Release date:2015-01-14
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural basis for bifunctional peptide recognition at human delta-opioid receptor.
Nat.Struct.Mol.Biol., 22, 2015
1XES
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BU of 1xes by Molmil
Crystal structure of stilbene synthase from Pinus sylvestris
Descriptor: 3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACID, Dihydropinosylvin synthase
Authors:Ng, S.H, Chirgadze, D, Spiteller, D, Li, T.L, Spencer, J.B, Blundell, T.L.
Deposit date:2004-09-12
Release date:2006-04-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of stilbene synthase from Pinus sylvestris
To be Published
1LGR
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BU of 1lgr by Molmil
INTERACTIONS OF NUCLEOTIDES WITH FULLY UNADENYLYLATED GLUTAMINE SYNTHETASE FROM SALMONELLA TYPHIMURIUM
Descriptor: ADENOSINE MONOPHOSPHATE, GLUTAMINE SYNTHETASE, MANGANESE (II) ION
Authors:Liaw, S.-H, Eisenberg, D.
Deposit date:1994-08-05
Release date:1994-11-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Interactions of nucleotides with fully unadenylylated glutamine synthetase from Salmonella typhimurium.
Biochemistry, 33, 1994
1CP7
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BU of 1cp7 by Molmil
AMINOPEPTIDASE FROM STREPTOMYCES GRISEUS
Descriptor: AMINOPEPTIDASE, CALCIUM ION, ZINC ION
Authors:Gilboa, R, Greenblatt, H.M, Perach, M, Spungin-Bialik, A, Lessel, U, Schomburg, D, Blumberg, S, Shoham, G.
Deposit date:1999-06-10
Release date:2000-05-03
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Interactions of Streptomyces griseus aminopeptidase with a methionine product analogue: a structural study at 1.53 A resolution.
Acta Crystallogr.,Sect.D, 56, 2000
1D4K
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BU of 1d4k by Molmil
HIV-1 PROTEASE COMPLEXED WITH A MACROCYCLIC PEPTIDOMIMETIC INHIBITOR
Descriptor: HIV-1 PROTEASE, N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE, SULFATE ION
Authors:Tyndall, J.D, Reid, R.C, Tyssen, D.P, Jardine, D.K, Todd, B, Passmore, M, March, D.R, Pattenden, L.K, Alewood, D, Hu, S.H, Alewood, P.F, Birch, C.J, Martin, J.L, Fairlie, D.P.
Deposit date:1999-10-04
Release date:2000-10-11
Last modified:2021-11-03
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Synthesis, stability, antiviral activity, and protease-bound structures of substrate-mimicking constrained macrocyclic inhibitors of HIV-1 protease.
J.Med.Chem., 43, 2000
1CSB
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BU of 1csb by Molmil
Crystal structure of cathepsin b inhibited with CA030 at 2.1 angstroms resolution: A basis for the design of specific epoxysuccinyl inhibitors
Descriptor: CATHEPSIN B heavy chain, CATHEPSIN B light chain, N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-isoleucyl-L-proline
Authors:Turk, D, Bode, W.
Deposit date:1994-12-09
Release date:1996-04-03
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cathepsin B inhibited with CA030 at 2.0-A resolution: A basis for the design of specific epoxysuccinyl inhibitors.
Biochemistry, 34, 1995
1DNK
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BU of 1dnk by Molmil
THE X-RAY STRUCTURE OF THE DNASE I-D(GGTATACC)2 COMPLEX AT 2.3 ANGSTROMS RESOLUTION
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DNA (5'-D(*GP*GP*TP*AP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3'), ...
Authors:Weston, S.A, Lahm, A, Suck, D.
Deposit date:1992-08-10
Release date:1994-01-31
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:X-ray structure of the DNase I-d(GGTATACC)2 complex at 2.3 A resolution.
J.Mol.Biol., 226, 1992
2Y1O
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BU of 2y1o by Molmil
Dual-target Inhibitor of MurD and MurE Ligases: Design, Synthesis and Binding Mode Studies
Descriptor: (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Tomasic, T, Sink, R, Kovac, A, Turk, S, Contreras-Martel, C, Dessen, A, Blanot, D, Gobec, S, Zega, A, Kikelj, D, Peterlin-Masic, L.
Deposit date:2010-12-09
Release date:2011-12-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Dual Inhibitor of MurD and MurE Ligases from Escherichia coli and Staphylococcus aureus.
ACS Med Chem Lett, 3, 2012
1J97
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BU of 1j97 by Molmil
Phospho-Aspartyl Intermediate Analogue of Phosphoserine phosphatase
Descriptor: MAGNESIUM ION, PHOSPHATE ION, Phosphoserine Phosphatase
Authors:Cho, H, Wang, W, Kim, R, Yokota, H, Damo, S, Kim, S.-H, Wemmer, D, Kustu, S, Yan, D, Berkeley Structural Genomics Center (BSGC)
Deposit date:2001-05-24
Release date:2001-07-25
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:BeF(3)(-) acts as a phosphate analog in proteins phosphorylated on aspartate: structure of a BeF(3)(-) complex with phosphoserine phosphatase.
Proc.Natl.Acad.Sci.USA, 98, 2001
3CN9
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BU of 3cn9 by Molmil
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- orthorhombic crystal form
Descriptor: 2-(2-METHOXYETHOXY)ETHANOL, Carboxylesterase, NONAETHYLENE GLYCOL
Authors:Lamba, D, Pesaresi, A.
Deposit date:2008-03-25
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
1E0C
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BU of 1e0c by Molmil
SULFURTRANSFERASE FROM AZOTOBACTER VINELANDII
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, SULFATE ION, ...
Authors:Bordo, D, Deriu, D, Colnaghi, R, Carpen, A, Pagani, S, Bolognesi, M.
Deposit date:2000-03-23
Release date:2000-05-08
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Crystal Structure of a Sulfurtransferase from Azotobacter Vinelandii Highlights the Evolutionary Relationship between the Rhodanese and Phosphatase Enzyme Families
J.Mol.Biol., 298, 2000
3CN7
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BU of 3cn7 by Molmil
Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- MONOCLINIC CRYSTAL FORM
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Carboxylesterase
Authors:Pesaresi, A, Lamba, D.
Deposit date:2008-03-25
Release date:2009-03-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study.
Biochimie, 92, 2010
3CSC
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BU of 3csc by Molmil
STRUCTURE OF TERNARY COMPLEXES OF CITRATE SYNTHASE WITH D-AND L-MALATE: MECHANISTIC IMPLICATIONS
Descriptor: (2S)-2-hydroxybutanedioic acid, ACETYL COENZYME *A, CITRATE SYNTHASE
Authors:Karpusas, M, Holland, D, Remington, S.J.
Deposit date:1990-05-07
Release date:1991-04-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:1.9-A structures of ternary complexes of citrate synthase with D- and L-malate: mechanistic implications.
Biochemistry, 30, 1991
1M7K
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BU of 1m7k by Molmil
Solution Structure of the SODD BAG Domain
Descriptor: Silencer of Death Domains
Authors:Brockmann, C, Leitner, D, Labudde, D, Diehl, A, Sievert, V, Buessow, K, Oschkinat, H.
Deposit date:2002-07-22
Release date:2002-08-07
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:The solution structure of the SODD BAG domain reveals additional electrostatic interactions in the HSP70 complexes of SODD subfamily BAG domains
Febs Lett., 558, 2004
2JPU
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BU of 2jpu by Molmil
solution structure of NESG target SsR10, Orf c02003 protein
Descriptor: Orf c02003 protein
Authors:Wu, Y, Singarapu, K.K, Zhang, Q, Eletski, A, Xu, D, Sukumaran, D, Parish, D, Wang, D, Jiang, M, Cunningham, K, Maglaqui, M, Owens, L, Xiao, R, Liu, J, Baran, M, Swapna, G.V.T, Acton, T, Rost, B, Montelione, G, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2007-05-23
Release date:2007-07-03
Last modified:2024-05-08
Method:SOLUTION NMR
Cite:Solution structure of NESG target SsR10, Orf c02003 protein
To be Published
1DIN
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BU of 1din by Molmil
DIENELACTONE HYDROLASE AT 2.8 ANGSTROMS
Descriptor: DIENELACTONE HYDROLASE
Authors:Ollis, D.L, Pathak, D.
Deposit date:1996-03-14
Release date:1996-08-17
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Refined structure of dienelactone hydrolase at 1.8 A.
J.Mol.Biol., 214, 1990
1ZFU
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BU of 1zfu by Molmil
Plectasin:A peptide antibiotic with therapeutic potential from a saprophytic fungus
Descriptor: Plectasin
Authors:Mygind, P.H, Fischer, R.L, Schnorr, K, Hansen, M.T, Sonksen, C.P, Ludvigsen, S, Raventos, D, Buskov, S, Christensen, B, De Maria, L, Taboureau, O, Yaver, D, Elvig-Jorgensen, S.G, Sorensen, M.V, Christensen, B.E, Kjaerulf, S, Frimodt-Moller, N, Lehrer, R.I, Zasloff, M, Kristensen, H.H.
Deposit date:2005-04-20
Release date:2005-10-18
Last modified:2021-10-27
Method:SOLUTION NMR
Cite:Plectasin is a peptide antibiotic with therapeutic potential from a saprophytic fungus.
Nature, 437, 2005
1EE1
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BU of 1ee1 by Molmil
CRYSTAL STRUCTURE OF NH3-DEPENDENT NAD+ SYNTHETASE FROM BACILLUS SUBTILIS COMPLEXED WITH ONE MOLECULE ATP, TWO MOLECULES DEAMIDO-NAD+ AND ONE MG2+ ION
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, NH(3)-DEPENDENT NAD(+) SYNTHETASE, ...
Authors:Devedjiev, Y, Symersky, J, Singh, R, Jedrzejas, M, Brouillette, C, Brouillette, W, Muccio, D, Chattopadhyay, D, Delucas, L.
Deposit date:2000-01-28
Release date:2001-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Stabilization of active-site loops in NH3-dependent NAD+ synthetase from Bacillus subtilis.
Acta Crystallogr.,Sect.D, 57, 2001
1EOV
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BU of 1eov by Molmil
FREE ASPARTYL-TRNA SYNTHETASE (ASPRS) (E.C. 6.1.1.12) FROM YEAST
Descriptor: ASPARTYL-TRNA SYNTHETASE
Authors:Sauter, C, Lorber, B, Cavarelli, J, Moras, D, Giege, R.
Deposit date:2000-03-24
Release date:2000-09-24
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The free yeast aspartyl-tRNA synthetase differs from the tRNA(Asp)-complexed enzyme by structural changes in the catalytic site, hinge region, and anticodon-binding domain.
J.Mol.Biol., 299, 2000
2AK5
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BU of 2ak5 by Molmil
beta PIX-SH3 complexed with a Cbl-b peptide
Descriptor: 8-residue peptide from a signal transduction protein CBL-B, Rho guanine nucleotide exchange factor 7
Authors:Jozic, D, Cardenes, N, Deribe, Y.L, Moncalian, G, Hoeller, D, Groemping, Y, Dikic, I, Rittinger, K, Bravo, J.
Deposit date:2005-08-03
Release date:2005-10-11
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Cbl promotes clustering of endocytic adaptor proteins.
Nat.Struct.Mol.Biol., 12, 2005

223790

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