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1IBS
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BU of 1ibs by Molmil
PHOSPHORIBOSYLDIPHOSPHATE SYNTHETASE IN COMPLEX WITH CADMIUM IONS
Descriptor: CADMIUM ION, METHYL PHOSPHONIC ACID ADENOSINE ESTER, RIBOSE-PHOSPHATE PYROPHOSPHOKINASE, ...
Authors:Eriksen, T.A, Kadziola, A, Larsen, S.
Deposit date:2001-03-29
Release date:2002-02-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Binding of cations in Bacillus subtilis phosphoribosyldiphosphate synthetase and their role in catalysis.
Protein Sci., 11, 2002
5ZI9
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BU of 5zi9 by Molmil
Crystal structure of type-II LOG from Streptomyces coelicolor A3
Descriptor: 1,2-ETHANEDIOL, CITRATE ANION, Cytokinin riboside 5'-monophosphate phosphoribohydrolase, ...
Authors:Seo, H, Kim, K.-J.
Deposit date:2018-03-14
Release date:2018-04-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and biochemical characterization of the type-II LOG protein from Streptomyces coelicolor A3.
Biochem. Biophys. Res. Commun., 499, 2018
1UV5
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BU of 1uv5 by Molmil
GLYCOGEN SYNTHASE KINASE 3 BETA COMPLEXED WITH 6-BROMOINDIRUBIN-3'-OXIME
Descriptor: 6-BROMOINDIRUBIN-3'-OXIME, CHLORIDE ION, COBALT (II) ION, ...
Authors:Dajani, R, Pearl, L.H, Roe, S.M.
Deposit date:2004-01-14
Release date:2004-01-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Gsk-3-Selective Inhibitors Derived from Tyrian Purple Indurubins
Chem.Biol., 10, 2003
3KT9
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BU of 3kt9 by Molmil
Aprataxin FHA Domain
Descriptor: Aprataxin
Authors:Cherry, A.L, Smerdon, S.J.
Deposit date:2009-11-24
Release date:2010-01-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:CK2 phosphorylation-dependent interaction between aprataxin and MDC1 in the DNA damage response.
Nucleic Acids Res., 38, 2010
3KLG
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BU of 3klg by Molmil
Crystal structure of AZT-resistant HIV-1 Reverse Transcriptase crosslinked to pre-translocation AZTMP-Terminated DNA (COMPLEX N)
Descriptor: DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*AP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*AP*TP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), Reverse transcriptase/ribonuclease H, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.65 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
3KLH
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BU of 3klh by Molmil
Crystal structure of AZT-Resistant HIV-1 Reverse Transcriptase crosslinked to post-translocation AZTMP-Terminated DNA (COMPLEX P)
Descriptor: DNA (5'-D(*AP*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*(MRG)P*CP*GP*CP*CP*(ATM))-3'), DNA (5'-D(*AP*T*GP*CP*TP*AP*GP*GP*CP*GP*CP*CP*CP*GP*AP*AP*CP*AP*GP*GP*GP*AP*CP*TP*GP*TP*G)-3'), MAGNESIUM ION, ...
Authors:Tu, X, Sarafianos, S.G, Arnold, E.
Deposit date:2009-11-07
Release date:2010-09-22
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of HIV-1 resistance to AZT by excision.
Nat.Struct.Mol.Biol., 17, 2010
2XOI
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BU of 2xoi by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
Descriptor: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
Authors:Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
Deposit date:2010-08-17
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
2XOG
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BU of 2xog by Molmil
Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A
Descriptor: (2S,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-N-[[(2S,3S,4R,5R)-5-(2,4-DIOXOPYRIMIDIN-1-YL)-4-HYDROXY-2-(HYDROXYMETHYL)OXOLAN-3-YL]METHYLSULFONYL]-3,4-DIHYDROXY-OXOLANE-2-CARBOXAMIDE, RIBONUCLEASE PANCREATIC
Authors:Thiyagarajan, N, Smith, B.D, Raines, R.T, Acharya, K.R.
Deposit date:2010-08-16
Release date:2011-01-19
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Functional and Structural Analyses of N-Acylsulfonamide-Linked Dinucleoside Inhibitors of Ribonuclease A.
FEBS J., 278, 2011
2XXJ
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BU of 2xxj by Molmil
Penta mutant of lactate dehydrogenase from Thermus thermophilus, ternary complex
Descriptor: L-LACTATE DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, OXAMIC ACID, ...
Authors:Tickle, J, de Mendoza Barbera, E, Vellieux, F.M.D.
Deposit date:2010-11-10
Release date:2010-11-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.964 Å)
Cite:Lactate Dehydrogenase from T. Thermophilus, Penta- Mutant (Ternary Complex)
To be Published
3L2K
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BU of 3l2k by Molmil
Structure of phenazine antibiotic biosynthesis protein with substrate
Descriptor: EhpF, phenazine-1,6-dicarboxylic acid
Authors:Bera, A.K, Atanasova, V, Parsons, J.F.
Deposit date:2009-12-15
Release date:2010-05-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of the D-alanylgriseoluteic acid biosynthetic protein EhpF, an atypical member of the ANL superfamily of adenylating enzymes.
Acta Crystallogr.,Sect.D, 66, 2010
2XP0
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BU of 2xp0 by Molmil
C-terminal cysteine-rich domain of human CHFR
Descriptor: E3 UBIQUITIN-PROTEIN LIGASE CHFR, ZINC ION
Authors:Oberoi, J, Bayliss, R.
Deposit date:2010-08-24
Release date:2010-09-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:Structural Basis of Poly(Adp-Ribose) Recognition by the Multizinc Binding Domain of Checkpoint with Forkhead-Associated and Ring Domains (Chfr).
J.Biol.Chem., 285, 2010
3L0S
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BU of 3l0s by Molmil
Crystal structures of Zinc, Cobalt and Iron containing Adenylate kinase from Gram-negative bacteria Desulfovibrio gigas
Descriptor: Adenylate kinase, COBALT (II) ION, D(-)-TARTARIC ACID
Authors:Mukhopadhyay, A, Trincao, J, Romao, M.J.
Deposit date:2009-12-10
Release date:2010-12-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of the zinc-, cobalt-, and iron-containing adenylate kinase from Desulfovibrio gigas: a novel metal-containing adenylate kinase from Gram-negative bacteria
J.Biol.Inorg.Chem., 16, 2011
2YAA
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BU of 2yaa by Molmil
Crystal structure of the autoinhibited form of mouse DAPK2 in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DEATH-ASSOCIATED PROTEIN KINASE 2, ...
Authors:Patel, A.K, Kursula, P.
Deposit date:2011-02-18
Release date:2011-04-13
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of the Dimeric Autoinhibited Conformation of Dapk2, a Pro-Apoptotic Protein Kinase.
J.Mol.Biol., 409, 2011
3MK2
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BU of 3mk2 by Molmil
Placental alkaline phosphatase complexed with Phe
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ...
Authors:Stec, B, Cheltsov, A, Millan, J.L.
Deposit date:2010-04-13
Release date:2011-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Acta Crystallogr.,Sect.F, 66, 2010
4IZ6
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BU of 4iz6 by Molmil
Structure of EntE and EntB, an NRPS adenylation-PCP fusion protein with pseudo translational symmetry
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2,3-dihydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E, ...
Authors:Gulick, A.M, Sundlov, J.A.
Deposit date:2013-01-29
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure determination of the functional domain interaction of a chimeric nonribosomal peptide synthetase from a challenging crystal with noncrystallographic translational symmetry.
Acta Crystallogr.,Sect.D, 69, 2013
3MK1
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BU of 3mk1 by Molmil
Refinement of placental alkaline phosphatase complexed with nitrophenyl
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, Alkaline phosphatase, ...
Authors:Stec, B, Cheltsov, A, Millan, J.L.
Deposit date:2010-04-13
Release date:2011-01-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Refined structures of placental alkaline phosphatase show a consistent pattern of interactions at the peripheral site.
Acta Crystallogr.,Sect.F, 66, 2010
3PCT
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BU of 3pct by Molmil
Structure of the class C acid phosphatase from Pasteurella multocida
Descriptor: Class C acid phosphatase
Authors:Singh, H, Malinski, T.J, Reilly, T.J, Tanner, J.J.
Deposit date:2010-10-21
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure and immunogenicity of the class C acid phosphatase from Pasteurella multocida.
Arch.Biochem.Biophys., 509, 2011
3RG2
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BU of 3rg2 by Molmil
Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis
Descriptor: 4'-PHOSPHOPANTETHEINE, 5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine, Enterobactin synthase component E (entE), ...
Authors:Sundlov, J.A, Gulick, A.M.
Deposit date:2011-04-07
Release date:2012-03-07
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural and Functional Investigation of the Intermolecular Interaction between NRPS Adenylation and Carrier Protein Domains.
Chem.Biol., 19, 2012
6A05
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BU of 6a05 by Molmil
Structure of pSTING complex
Descriptor: 2-amino-9-[(2R,3R,3aR,5S,7aS,9R,10R,10aR,12R,14aS)-9-(6-amino-9H-purin-9-yl)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecin-2-yl]-1,9-dihydro-6H-purin-6-one, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
6A03
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BU of 6a03 by Molmil
Structure of pSTING complex
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, SULFATE ION, Stimulator of interferon genes protein
Authors:Yuan, Z.L, Shang, G.J, Cong, X.Y, Gu, L.C.
Deposit date:2018-06-05
Release date:2019-06-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:Crystal structures of porcine STINGCBD-CDN complexes reveal the mechanism of ligand recognition and discrimination of STING proteins.
J.Biol.Chem., 294, 2019
8SBM
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BU of 8sbm by Molmil
Crystal structure of the wild-type Catalytic ATP-binding domain of Mtb DosS
Descriptor: 1,2-ETHANEDIOL, GAF domain-containing protein, SODIUM ION, ...
Authors:Larson, G, Shi, K, Aihara, H, Bhagi-Damodaran, A.
Deposit date:2023-04-03
Release date:2023-11-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Understanding ATP Binding to DosS Catalytic Domain with a Short ATP-Lid.
Biochemistry, 62, 2023
8RXR
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BU of 8rxr by Molmil
Crystal structure of VPS34 in complex with inhibitor SB02024
Descriptor: 4-[(3R)-3-methylmorpholin-4-yl]-2-[(2R)-2-(trifluoromethyl)piperidin-1-yl]-3H-pyridin-6-one, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ...
Authors:Tresaugues, L, Yu, Y, Bogdan, M, Parpal, S, Silvander, C, Lindstrom, J, Simeon, J, Timson, M.J, Al-Hashimi, H, Smith, B.D, Flynn, D.L, Viklund, J, Martinsson, J, De Milito, A, Andersson, M.
Deposit date:2024-02-07
Release date:2024-03-20
Last modified:2024-08-21
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Combining VPS34 inhibitors with STING agonists enhances type I interferon signaling and anti-tumor efficacy.
Mol Oncol, 18, 2024
8K5S
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BU of 8k5s by Molmil
The structure of EntE with 3-(prop-2-yn-1-yloxy)benzoic acid sulfamoyl adenosine
Descriptor: Enterobactin synthase component E, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-prop-2-ynoxyphenyl)carbonylsulfamate
Authors:Miyanaga, A, Ishikawa, F.
Deposit date:2023-07-24
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Reprogrammed aryl acid adenylation domain with an enlarged substrate binding pocket
To be published
8K5T
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BU of 8k5t by Molmil
The structure of EntE with2-methyl-3-chloro-benzoic acid sulfamoyl adenosine
Descriptor: Enterobactin synthase component E, [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-(3-chloranyl-2-methyl-phenyl)carbonylsulfamate
Authors:Miyanaga, A, Ishikawa, F.
Deposit date:2023-07-24
Release date:2024-07-31
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Reprogrammed aryl acid adenylation domain with an enlarged substrate binding pocket
To be published
5KKA
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BU of 5kka by Molmil
E. coli malate dehydrogenase with the inhibitor 6DHNAD
Descriptor: Malate dehydrogenase, [[(2~{R},3~{S},4~{R},5~{R})-5-(5-aminocarbonyl-2~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Authors:Meneely, K.M, Lamb, A.L, Moran, G.R.
Deposit date:2016-06-21
Release date:2016-11-02
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Ligand binding phenomena that pertain to the metabolic function of renalase.
Arch.Biochem.Biophys., 612, 2016

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