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3G0Q
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Crystal Structure of MutY bound to its inhibitor DNA
Descriptor: 5'-D(*AP*AP*GP*AP*CP*(8OG)P*GP*GP*GP*AP*C)-3', 5'-D(*GP*TP*CP*CP*CP*AP*GP*TP*CP*TP*T)-3', A/G-specific adenine glycosylase, ...
Authors:Lee, S, Verdine, G.L.
Deposit date:2009-01-28
Release date:2009-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Atomic substitution reveals the structural basis for substrate adenine recognition and removal by adenine DNA glycosylase.
Proc.Natl.Acad.Sci.Usa, 106, 2009
3QKQ
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BU of 3qkq by Molmil
Protein Tyrosine Phosphatase 1B - W179F mutant bound with vanadate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, Tyrosine-protein phosphatase non-receptor type 1, ...
Authors:Brandao, T.A.S, Johnson, S.J, Hengge, A.C.
Deposit date:2011-02-01
Release date:2012-08-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The molecular details of WPD-loop movement differ in the protein-tyrosine phosphatases YopH and PTP1B.
Arch.Biochem.Biophys., 525, 2012
3FQO
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BU of 3fqo by Molmil
Staphylococcus aureus F98Y mutant dihydrofolate reductase complexed with NADPH and 2,4-diamino-5-[3-(2,5-dimethoxyphenyl)prop-1-ynyl]-6-ethylpyrimidine (UCP120B)
Descriptor: 5-[3-(2,5-dimethoxyphenyl)prop-1-yn-1-yl]-6-ethylpyrimidine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethoprim-sensitive dihydrofolate reductase
Authors:Anderson, A.C, Frey, K.M, Liu, J, Lombardo, M.N.
Deposit date:2009-01-07
Release date:2009-03-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Crystal structures of wild-type and mutant methicillin-resistant Staphylococcus aureus dihydrofolate reductase reveal an alternate conformation of NADPH that may be linked to trimethoprim resistance.
J.Mol.Biol., 387, 2009
3QLD
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BU of 3qld by Molmil
Structure of Probable Mandelate Racemase (AaLAA1DRAFT_2112) from Alicyclobacillus Acidocaldarius
Descriptor: Mandelate racemase/muconate lactonizing protein, SULFATE ION
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2011-02-02
Release date:2011-04-27
Last modified:2021-02-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of Probable Mandelate Racemase (AaLAA1DRAFT_2112) from Alicyclobacillus Acidocaldarius
To be published
3G23
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BU of 3g23 by Molmil
Crystal structure of a ld-carboxypeptidase a (saro_1426) from novosphingobium aromaticivorans dsm at 1.89 A resolution
Descriptor: GLYCEROL, LD-carboxypeptidase A, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-01-30
Release date:2009-02-10
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structure and function of a novel LD-carboxypeptidase a involved in peptidoglycan recycling.
J.Bacteriol., 195, 2013
3FQW
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Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes
Descriptor: Beta-2-microglobulin, CADMIUM ION, COBALT (II) ION, ...
Authors:Petersen, J, Rossjohn, J.
Deposit date:2009-01-07
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.927 Å)
Cite:Phosphorylated self-peptides alter human leukocyte antigen class I-restricted antigen presentation and generate tumor-specific epitopes
Proc.Natl.Acad.Sci.Usa, 106, 2009
3QKX
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BU of 3qkx by Molmil
Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, SULFATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-02-01
Release date:2011-03-02
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a TetR-family transcriptional regulator (HI0893) from Haemophilus influenzae RD at 2.35 A resolution
To be published
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
Descriptor: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3QNZ
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BU of 3qnz by Molmil
Orthorhombic form of IgG1 Fab fragment (in complex with antigenic tubulin peptide) sharing same Fv as IgA
Descriptor: Fab fragment of IMMUNOGLOBULIN G1 HEAVY CHAIN, Fab fragment of IMMUNOGLOBULIN G1 LIGHT CHAIN, GLYCEROL, ...
Authors:Trajtenberg, F, Correa, A, Buschiazzo, A.
Deposit date:2011-02-09
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a human IgA1 Fab fragment at 1.55 angstrom resolution: potential effect of the constant domains on antigen-affinity modulation
Acta Crystallogr.,Sect.D, 69, 2013
3QNK
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BU of 3qnk by Molmil
Crystal structure of a SusD-like protein (BF3747) from Bacteroides fragilis NCTC 9343 at 2.70 A resolution
Descriptor: ACETATE ION, CHLORIDE ION, PHOSPHATE ION, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2011-02-08
Release date:2011-03-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of a Hypothetical SusD-like protein (BF3747) from Bacteroides fragilis NCTC 9343 at 2.70 A resolution
To be published
3FS7
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BU of 3fs7 by Molmil
Crystal structure of Gallus gallus beta-parvalbumin (avian thymic hormone)
Descriptor: CALCIUM ION, GLYCEROL, Parvalbumin, ...
Authors:Schuermann, J.P, Tanner, J.J, Henzl, M.T.
Deposit date:2009-01-09
Release date:2010-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9539 Å)
Cite:Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.
J.Mol.Biol., 397, 2010
3QO6
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BU of 3qo6 by Molmil
Crystal structure analysis of the plant protease Deg1
Descriptor: Protease Do-like 1, chloroplastic, peptide
Authors:Clausen, T.
Deposit date:2011-02-09
Release date:2011-05-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural adaptation of the plant protease Deg1 to repair photosystem II during light exposure.
Nat.Struct.Mol.Biol., 18, 2011
3QPO
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BU of 3qpo by Molmil
Structure of PDE10-inhibitor complex
Descriptor: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline, MAGNESIUM ION, SULFATE ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2011-02-14
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
3QPP
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BU of 3qpp by Molmil
Structure of PDE10-inhibitor complex
Descriptor: 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
Authors:Pandit, J, Marr, E.S.
Deposit date:2011-02-14
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Use of Structure-Based Design to Discover a Potent, Selective, In Vivo Active Phosphodiesterase 10A Inhibitor Lead Series for the Treatment of Schizophrenia.
J.Med.Chem., 54, 2011
3FUG
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BU of 3fug by Molmil
Crystal Structure of the Retinoid X Receptor Ligand Binding Domain Bound to the Synthetic Agonist 3-[4-Hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-phenyl]acrylic Acid
Descriptor: (2E)-3-[4-hydroxy-3-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]prop-2-enoic acid, Nuclear receptor coactivator 2, Retinoic acid receptor RXR-alpha
Authors:Bourguet, W.
Deposit date:2009-01-14
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Modulating retinoid X receptor with a series of (E)-3-[4-hydroxy-3-(3-alkoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]acrylic acids and their 4-alkoxy isomers.
J.Med.Chem., 52, 2009
3QQ8
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BU of 3qq8 by Molmil
Crystal structure of p97-N in complex with FAF1-UBX
Descriptor: CHLORIDE ION, FAS-associated factor 1, Transitional endoplasmic reticulum ATPase
Authors:Haenzelmann, P, Schindelin, H.
Deposit date:2011-02-15
Release date:2011-06-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hierarchical Binding of Cofactors to the AAA ATPase p97.
Structure, 19, 2011
3Q5S
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BU of 3q5s by Molmil
Crystal structure of BmrR bound to Acetylcholine
Descriptor: 23 bp promoter DNA, ACETYLCHOLINE, GLYCEROL, ...
Authors:Bachas, S, Eginton, C, Gunio, G, Wade, H.
Deposit date:2010-12-29
Release date:2011-06-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural contributions to multidrug recognition in the multidrug resistance (MDR) gene regulator, BmrR.
Proc.Natl.Acad.Sci.USA, 108, 2011
3FQT
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BU of 3fqt by Molmil
Phosphorylation of self-peptides alters Human Leukocyte Antigen Class I-restricted antigen presentation and generates tumor specific epitopes
Descriptor: Beta-2-microglobulin, CADMIUM ION, GLYCEROL, ...
Authors:Petersen, J, Rossjohn, J.
Deposit date:2009-01-07
Release date:2009-03-03
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Phosphorylated self-peptides alter human leukocyte antigen class I-restricted antigen presentation and generate tumor-specific epitopes
Proc.Natl.Acad.Sci.Usa, 106, 2009
3FUY
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BU of 3fuy by Molmil
Structure from the mobile metagenome of Cole Harbour Salt Marsh: Integron Cassette Protein HFX_CASS1
Descriptor: Putative integron gene cassette protein, SULFATE ION
Authors:Sureshan, V, Deshpande, C.N, Harrop, S.J, Kudrytska, M, Koenig, J.E, Evdokimova, E, Osipiuk, J, Edwards, A, Savchenko, A, Joachimiak, A, Doolittle, W.F, Stokes, H.W, Curmi, P.M.G, Mabbutt, B.C, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-01-15
Release date:2009-02-24
Last modified:2013-02-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Integron gene cassettes: a repository of novel protein folds with distinct interaction sites
Plos One, 8, 2013
3FVD
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BU of 3fvd by Molmil
Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
Descriptor: MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme
Authors:Malashkevich, V.N, Rutter, M, Bain, K.T, Lau, C, Ozyurt, S, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-01-15
Release date:2009-01-27
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a member of enolase superfamily from ROSEOVARIUS NUBINHIBENS ISM complexed with magnesium
to be published
3QQS
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BU of 3qqs by Molmil
Anthranilate phosphoribosyltransferase (TRPD) from Mycobacterium tuberculosis (complex with inhibitor ACS172)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2,2'-iminodibenzoic acid, Anthranilate phosphoribosyltransferase, ...
Authors:Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-02-16
Release date:2012-08-22
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:The Substrate Capture Mechanism of Mycobacterium tuberculosis Anthranilate Phosphoribosyltransferase Provides a Mode for Inhibition.
Biochemistry, 52, 2013
3FRO
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BU of 3fro by Molmil
Crystal structure of Pyrococcus abyssi glycogen synthase with open and closed conformations
Descriptor: 1,5-anhydro-D-fructose, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GlgA glycogen synthase, ...
Authors:Diaz, A, Guinovart, J.J, Fita, I, Ferrer, J.C.
Deposit date:2009-01-08
Release date:2010-01-12
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Lyase activity of glycogen synthase: Is an elimination/addition mechanism a possible reaction pathway for retaining glycosyltransferases?
IUBMB Life, 64, 2012
3Q7I
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BU of 3q7i by Molmil
Glucose-6-phosphate isomerase from Francisella tularensis complexed with 6-phosphogluconic acid.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 6-PHOSPHOGLUCONIC ACID, CALCIUM ION, ...
Authors:Osipiuk, J, Maltseva, N, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2011-01-04
Release date:2011-02-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Glucose-6-phosphate isomerase from Francisella tularensis.
To be Published
3Q8H
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BU of 3q8h by Molmil
Crystal structure of 2c-methyl-d-erythritol 2,4-cyclodiphosphate synthase from burkholderia pseudomallei in complex with cytidine derivative EBSI01028
Descriptor: 1,2-ETHANEDIOL, 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase, 5'-deoxy-5'-[(imidazo[2,1-b][1,3]thiazol-5-ylcarbonyl)amino]cytidine, ...
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-01-06
Release date:2011-01-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cytidine derivatives as IspF inhibitors of Burkolderia pseudomallei.
Bioorg.Med.Chem.Lett., 23, 2013
3FSL
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BU of 3fsl by Molmil
Crystal structure of tyrosine aminotransferase tripple mutant (P181Q,R183G,A321K) from Escherichia coli at 2.35 A resolution
Descriptor: (5-HYDROXY-4,6-DIMETHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE, Aromatic-amino-acid aminotransferase
Authors:Malashkevich, V.N, Ng, B, Kirsch, J.F.
Deposit date:2009-01-09
Release date:2009-01-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of tyrosine aminotransferase tripple mutant (P181Q,R183G,A321K) from Escherichia coli at 2.35 A resolution
To be Published

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