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3SE5
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BU of 3se5 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant delta8 in complex with AMPPNP
Descriptor: Cell filamentation protein Fic-related protein, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ...
Authors:Goepfert, A, Stanger, F, Schirmer, T.
Deposit date:2011-06-10
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
4EOO
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BU of 4eoo by Molmil
Thr 160 phosphorylated CDK2 Q131E - human cyclin A3 complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Cyclin-A2, Cyclin-dependent kinase 2, ...
Authors:Echalier, A, Cot, E, Camasses, A, Hodimont, E, Hoh, F, Sheinerman, F, Krasinska, L, Fisher, D.
Deposit date:2012-04-14
Release date:2013-02-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An integrated chemical biology approach provides insight into Cdk2 functional redundancy and inhibitor sensitivity.
Chem.Biol., 19, 2012
1QK5
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BU of 1qk5 by Molmil
TOXOPLASMA GONDII HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE WITH XMP, PYROPHOSPHATE AND TWO MG2+ IONS
Descriptor: HYPOXANTHINE-GUANINE PHOSPHORIBOSYLTRANSFERASE, MAGNESIUM ION, PYROPHOSPHATE 2-, ...
Authors:Heroux, A, White, E.L, Ross, L.J, Davis, R.L, Borhani, D.W.
Deposit date:1999-07-09
Release date:1999-10-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase with Xmp, Pyrophosphate and Two Mg2+ Ions Bound: Insights Into the Catalytic Mechanism
Biochemistry, 38, 1999
1SKQ
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BU of 1skq by Molmil
The crystal structure of Sulfolobus solfataricus elongation factor 1-alpha in complex with magnesium and GDP
Descriptor: Elongation factor 1-alpha, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Vitagliano, L, Ruggiero, A, Masullo, M, Cantiello, P, Arcari, P, Zagari, A.
Deposit date:2004-03-05
Release date:2004-07-20
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structure of Sulfolobus solfataricus elongation factor 1alpha in complex with magnesium and GDP.
Biochemistry, 43, 2004
4BW1
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BU of 4bw1 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
4CE7
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BU of 4ce7 by Molmil
Crystal structure of a novel unsaturated beta-glucuronyl hydrolase enzyme, belonging to family GH105, involved in ulvan degradation
Descriptor: NITRATE ION, UNSATURATED 3S-RHAMNOGLYCURONYL HYDROLASE
Authors:Nyvall Collen, P, Jeudy, A, Groisillier, A, Coutinho, P.M, Helbert, W, Czjzek, M.
Deposit date:2013-11-09
Release date:2014-01-22
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A Novel Unsaturated Beta-Glucuronyl Hydrolase Involved in Ulvan Degradation Unveils the Versatility of Stereochemistry Requirements in Family Gh105.
J.Biol.Chem., 289, 2014
4BW3
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BU of 4bw3 by Molmil
The first bromodomain of human BRD4 in complex with 3,5 dimethylisoxaxole ligand
Descriptor: 1,2-ETHANEDIOL, 4-((2-(tert-butyl)phenyl)amino)-7-(3,5-dimethylisoxazol-4-yl)-6-methoxy-1,5-naphthyridine-3-carboxylic acid, BROMODOMAIN-CONTAINING PROTEIN 4
Authors:Chung, C, Mirguet, O, Lamotte, Y, Bamborough, P, Delannee, D, Bouillot, A, Gellibert, F, Krysa, G, Lewis, A, Witherington, J, Huet, P, Dudit, Y, Trottet, L, Nicodeme, E.
Deposit date:2013-06-29
Release date:2013-09-11
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Naphthyridines as Novel Bet Family Bromodomain Inhibitors.
Chemmedchem, 9, 2014
2QH1
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BU of 2qh1 by Molmil
Structure of TA289, a CBS-rubredoxin-like protein, in its Fe+2-bound state
Descriptor: FE (II) ION, Hypothetical protein Ta0289
Authors:Singer, A.U, Proudfoot, M, Brown, G, Xu, L, Savchenko, A, Yakunin, A.F, Midwest Center for Structural Genomics (MCSG)
Deposit date:2007-06-29
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and structural characterization of a novel family of cystathionine beta-synthase domain proteins fused to a Zn ribbon-like domain.
J.Mol.Biol., 375, 2008
2LTP
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BU of 2ltp by Molmil
Solution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCoR2), Northeast Structural Genomics Consortium (NESG) target ID HR4636E
Descriptor: Nuclear receptor corepressor 2
Authors:Montecchio, M, Lemak, A, Yee, A, Xu, C, Garcia, M, Houliston, S, Bellanda, M, Min, J, Montelione, G.T, Arrowsmith, C, Northeast Structural Genomics Consortium (NESG), Structural Genomics Consortium (SGC)
Deposit date:2012-05-30
Release date:2012-06-20
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Solution structure of the SANT2 domain of the human nuclear receptor corepressor 2 (NCoR2).
To be Published
4C1Y
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BU of 4c1y by Molmil
Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with b-methylfucoside
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, ...
Authors:Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M.
Deposit date:2013-08-14
Release date:2014-08-27
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent.
Acta Crystallogr.,Sect.D, 71, 2015
3SN9
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BU of 3sn9 by Molmil
Fic protein from NEISSERIA MENINGITIDIS mutant S182A/E186A in complex with AMPPNP
Descriptor: Cell filamentation protein Fic-related protein, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Goepfert, A, Stanger, F, Schirmer, T.
Deposit date:2011-06-29
Release date:2012-01-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.03 Å)
Cite:Adenylylation control by intra- or intermolecular active-site obstruction in Fic proteins.
Nature, 482, 2012
1CY0
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BU of 1cy0 by Molmil
COMPLEX OF E.COLI DNA TOPOISOMERASE I WITH 3'-5'-ADENOSINE DIPHOSPHATE
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, DNA TOPOISOMERASE I
Authors:Feinberg, H, Changela, A, Mondragon, A.
Deposit date:1999-08-31
Release date:2000-03-08
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Protein-nucleotide interactions in E. coli DNA topoisomerase I.
Nat.Struct.Biol., 6, 1999
3UFZ
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BU of 3ufz by Molmil
Crystal structure of a Trp-less green fluorescent protein translated by the universal genetic code
Descriptor: Green fluorescent protein
Authors:Kawahara-Kobayashi, A, Araiso, Y, Matsuda, T, Yokoyama, S, Kigawa, T, Nureki, O, Kiga, D.
Deposit date:2011-11-02
Release date:2012-10-17
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Simplification of the genetic code: restricted diversity of genetically encoded amino acids.
Nucleic Acids Res., 40, 2012
1CHU
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BU of 1chu by Molmil
STRUCTURE OF L-ASPARTATE OXIDASE: IMPLICATIONS FOR THE SUCCINATE DEHYDROGENASE/ FUMARATE REDUCATSE FAMILY
Descriptor: PROTEIN (L-ASPARTATE OXIDASE)
Authors:Mattevi, A.
Deposit date:1999-03-29
Release date:1999-06-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of L-aspartate oxidase: implications for the succinate dehydrogenase/fumarate reductase oxidoreductase family.
Structure Fold.Des., 7, 1999
3UQO
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BU of 3uqo by Molmil
Bovine trypsin variant X(triplePhe227) in complex with small molecule inhibitor
Descriptor: 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, Cationic trypsin
Authors:Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
Deposit date:2011-11-21
Release date:2012-11-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
4G65
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BU of 4g65 by Molmil
Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus
Descriptor: CHLORIDE ION, SULFATE ION, TETRAETHYLENE GLYCOL, ...
Authors:Filippova, E.V, Wawrzak, Z, Skarina, T, Onopriyenko, O, Edwards, A, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-07-18
Release date:2012-08-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Potassium transporter peripheral membrane component (trkA) from Vibrio vulnificus.
To be Published
2EFL
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BU of 2efl by Molmil
Crystal structure of the EFC domain of formin-binding protein 17
Descriptor: Formin-binding protein 1
Authors:Shimada, A, Niwa, H, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-02-23
Release date:2007-05-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Curved EFC/F-BAR-Domain Dimers Are Joined End to End into a Filament for Membrane Invagination in Endocytosis
Cell(Cambridge,Mass.), 129, 2007
4FVN
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BU of 4fvn by Molmil
Carbonic Anhydrase II in complex with N-(tetrahydropyrimidin-2(1H)-ylidene)sulfuric diamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, MERCURIBENZOIC ACID, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-29
Release date:2013-07-17
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:HIgh resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
1STC
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BU of 1stc by Molmil
CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT IN COMPLEX WITH STAUROSPORINE
Descriptor: CAMP-DEPENDENT PROTEIN KINASE, PROTEIN KINASE INHIBITOR, STAUROSPORINE
Authors:Prade, L, Engh, R.A, Girod, A, Kinzel, V, Huber, R, Bossemeyer, D.
Deposit date:1997-10-10
Release date:1998-02-25
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Staurosporine-induced conformational changes of cAMP-dependent protein kinase catalytic subunit explain inhibitory potential.
Structure, 5, 1997
3V12
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BU of 3v12 by Molmil
Bovine trypsin variant X(tripleGlu217Phe227) in complex with small molecule inhibitor
Descriptor: CALCIUM ION, Cationic trypsin, GLYCEROL, ...
Authors:Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T.
Deposit date:2011-12-09
Release date:2012-12-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues.
Biol.Chem., 395, 2014
2E9R
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BU of 2e9r by Molmil
Foot-and-mouth disease virus RNA-dependent RNA polymerase in complex with a template-primer RNA and with ribavirin
Descriptor: 5'-R(*CP*AP*UP*GP*GP*GP*CP*CP*C)-3', 5'-R(*CP*CP*C*GP*GP*GP*CP*CP*C)-3', MAGNESIUM ION, ...
Authors:Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N.
Deposit date:2007-01-26
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Sequential structures provide insights into the fidelity of RNA replication
Proc.Natl.Acad.Sci.Usa, 104, 2007
4FVO
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BU of 4fvo by Molmil
Carbonic Anhydrase II in complex with N-[(2E)-3,4-dihydroquinazolin-2(1H)-ylidene]sulfuric diamide
Descriptor: Carbonic anhydrase 2, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Di Pizio, A, Heine, A, Klebe, G.
Deposit date:2012-06-29
Release date:2013-07-03
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:High resolution crystal structures of Carbonic Anhydrase II in complex with novel sulfamide binders
To be Published
2EC0
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BU of 2ec0 by Molmil
RNA-dependent RNA polymerase of foot-and-mouth disease virus in complex with a template-primer RNA and ATP
Descriptor: 5'-R(*GP*GP*GP*CP*CP*CP*A)-3', 5'-R(P*AP*UP*GP*GP*GP*CP*CP*C)-3', MAGNESIUM ION, ...
Authors:Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N.
Deposit date:2007-02-09
Release date:2007-06-26
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Sequential structures provide insights into the fidelity of RNA replication
Proc.Natl.Acad.Sci.Usa, 104, 2007
1DXU
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BU of 1dxu by Molmil
HIGH-RESOLUTION X-RAY STUDY OF DEOXY RECOMBINANT HUMAN HEMOGLOBINS SYNTHESIZED FROM BETA-GLOBINS HAVING MUTATED AMINO TERMINI
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1992-05-06
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins having mutated amino termini.
Biochemistry, 31, 1992
1DXT
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BU of 1dxt by Molmil
HIGH-RESOLUTION X-RAY STUDY OF DEOXY RECOMBINANT HUMAN HEMOGLOBINS SYNTHESIZED FROM BETA-GLOBINS HAVING MUTATED AMINO TERMINI
Descriptor: HEMOGLOBIN (DEOXY) (ALPHA CHAIN), HEMOGLOBIN (DEOXY) (BETA CHAIN), PROTOPORPHYRIN IX CONTAINING FE
Authors:Kavanaugh, J.S, Arnone, A.
Deposit date:1992-05-06
Release date:1993-10-31
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:High-resolution X-ray study of deoxy recombinant human hemoglobins synthesized from beta-globins having mutated amino termini.
Biochemistry, 31, 1992

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