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2PFV
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BU of 2pfv by Molmil
S. cerevisiae Exo70 with additional residues to 2.1 Angrstrom resolution
Descriptor: Exocyst complex component EXO70
Authors:Moore, B.A, Robinson, H.H, Xu, Z.
Deposit date:2007-04-05
Release date:2007-05-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:The crystal structure of mouse Exo70 reveals unique features of the mammalian exocyst.
J.Mol.Biol., 371, 2007
4JDS
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BU of 4jds by Molmil
SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
Descriptor: Histone-lysine N-methyltransferase SETD7, N-[(2R)-3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl]-8-fluoro-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, S-ADENOSYLMETHIONINE, ...
Authors:Dong, A, Wu, H, Zeng, H, Park, H, El Bakkouri, M, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2013-02-25
Release date:2013-03-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:SETD7 in complex with inhibitor PF-5426 and S-adenosyl-methionine
to be published
4JEA
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BU of 4jea by Molmil
Crystal structure of an engineered Zn-RIDC1 construct with four interfacial disulfide bonds
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, SULFATE ION, ZINC ION, ...
Authors:Tezcan, F.A, Medina-Morales, A.M, Perez, A, Brodin, J.D.
Deposit date:2013-02-26
Release date:2013-08-21
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:In Vitro and Cellular Self-Assembly of a Zn-Binding Protein Cryptand via Templated Disulfide Bonds.
J.Am.Chem.Soc., 135, 2013
3EJS
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BU of 3ejs by Molmil
Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine
Descriptor: (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Shea, K, Rose, D.R.
Deposit date:2008-09-18
Release date:2009-10-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II.
Chembiochem, 11, 2010
4JFL
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BU of 4jfl by Molmil
Increasing the Efficiency Efficiency of Ligands for the FK506-Binding Protein 51 by Conformational Control: Complex of FKBP51 with 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one
Descriptor: 6-({(1S,5R)-3-[2-(3,4-dimethoxyphenoxy)ethyl]-2-oxo-3,9-diazabicyclo[3.3.1]non-9-yl}sulfonyl)-1,3-benzothiazol-2(3H)-one, Peptidyl-prolyl cis-trans isomerase FKBP5
Authors:Wang, Y, Kirschner, A, Fabian, A, Gopalakrishnan, R, Kress, C, Hoogeland, B, Koch, U, Kozany, C, Bracher, A, Hausch, F.
Deposit date:2013-02-28
Release date:2013-08-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Increasing the efficiency of ligands for FK506-binding protein 51 by conformational control.
J.Med.Chem., 56, 2013
3PV5
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BU of 3pv5 by Molmil
Structure of Legionella fallonii DegQ (N189G/P190G variant)
Descriptor: DegQ
Authors:Wrase, R, Scott, H, Hilgenfeld, R, Hansen, G.
Deposit date:2010-12-06
Release date:2011-06-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The Legionella HtrA homologue DegQ is a self-compartmentizing protease that forms large 12-meric assemblies.
Proc.Natl.Acad.Sci.USA, 108, 2011
3E8V
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BU of 3e8v by Molmil
Crystal structure of a possible transglutaminase-family protein proteolytic fragment from Bacteroides fragilis
Descriptor: Possible transglutaminase-family protein, UNKNOWN LIGAND
Authors:Bonanno, J.B, Rutter, M, Bain, K.T, Hu, S, Romero, R, Smith, D, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2008-08-20
Release date:2008-09-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of a possible transglutaminase-family protein proteolytic fragment from Bacteroides fragilis
To be Published
3PVW
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BU of 3pvw by Molmil
Bovine GRK2 in complex with Gbetagamma subunits and a selective kinase inhibitor (CMPD103A)
Descriptor: Beta-adrenergic receptor kinase 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Thal, D.M, Tesmer, J.J.
Deposit date:2010-12-07
Release date:2011-06-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Molecular Mechanism of Selectivity among G Protein-Coupled Receptor Kinase 2 Inhibitors.
Mol.Pharmacol., 80, 2011
4JGS
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BU of 4jgs by Molmil
Crystal structure of the xmrv tm retroviral fusion core
Descriptor: CHLORIDE ION, MLV-related proviral Env polyprotein
Authors:Cook, J.D, Aydin, H, Lee, J.E.
Deposit date:2013-03-02
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of Beta- and gammaretrovirus fusion proteins reveal a role for electrostatic stapling in viral entry.
J.Virol., 88, 2014
3E93
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BU of 3e93 by Molmil
Crystal Structure of P38 Kinase in Complex with A Biaryl Amide Inhibitor
Descriptor: 4-methyl-N-(3-morpholin-4-ylphenyl)-3-(3-piperidin-4-yl-1,2-benzisoxazol-6-yl)benzamide, GLYCEROL, Mitogen-activated protein kinase 14
Authors:Somers, D.O, Patel, S.
Deposit date:2008-08-21
Release date:2008-09-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Kinase array design, back to front: Biaryl amides
Bioorg.Med.Chem.Lett., 18, 2008
2PQU
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BU of 2pqu by Molmil
Crystal structure of KH1 domain of human PCBP2 complexed to single-stranded 12-mer telomeric dna
Descriptor: 12-mer C-rich strand of human telomeric DNA, Poly(rC)-binding protein 2
Authors:James, T.L, Lee, J.
Deposit date:2007-05-02
Release date:2007-06-12
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:X-ray crystallographic and NMR studies of protein-protein and protein-nucleic acid interactions involving the KH domains from human poly(C)-binding protein-2.
Rna, 13, 2007
3PNM
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BU of 3pnm by Molmil
Crystal Structure of E.coli Dha kinase DhaK (H56A)
Descriptor: PTS-dependent dihydroxyacetone kinase, dihydroxyacetone-binding subunit dhaK
Authors:Shi, R, McDonald, L, Matte, A, Cygler, M, Ekiel, I, Montreal-Kingston Bacterial Structural Genomics Initiative (BSGI)
Deposit date:2010-11-19
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structural and mechanistic insight into covalent substrate binding by Escherichia coli dihydroxyacetone kinase.
Proc.Natl.Acad.Sci.USA, 108, 2011
3PX4
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BU of 3px4 by Molmil
Crystal Structure of Bacillus DNA Polymerase I Large Fragment Bound to DNA and ddCTP-dA Mismatch (wobble) in Ajar Conformation
Descriptor: 2',3'-DIDEOXYCYTIDINE 5'-TRIPHOSPHATE, DNA (5'-D(*CP*AP*TP*AP*GP*GP*AP*GP*TP*CP*AP*GP*G)-3'), DNA (5'-D(*CP*CP*TP*GP*AP*CP*TP*CP*(DOC))-3'), ...
Authors:Wang, W, Beese, L.S.
Deposit date:2010-12-09
Release date:2011-10-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.582 Å)
Cite:Structural evidence for the rare tautomer hypothesis of spontaneous mutagenesis.
Proc.Natl.Acad.Sci.USA, 108, 2011
3E46
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BU of 3e46 by Molmil
Crystal structure of ubiquitin-conjugating enzyme E2-25kDa (Huntington interacting protein 2) M172A mutant
Descriptor: CALCIUM ION, Ubiquitin-conjugating enzyme E2-25 kDa
Authors:Hughes, R.C, Wilson, R.C, Flatt, J.W, Meehan, E.J, Ng, J.D, Twigg, P.D.
Deposit date:2008-08-09
Release date:2008-08-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structure of full-length ubiquitin-conjugating enzyme E2-25K (huntingtin-interacting protein 2).
Acta Crystallogr.,Sect.F, 65, 2009
2ES4
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BU of 2es4 by Molmil
Crystal structure of the Burkholderia glumae lipase-specific foldase in complex with its cognate lipase
Descriptor: CALCIUM ION, IODIDE ION, Lipase, ...
Authors:Pauwels, K, Wyns, L, Tommassen, J, Savvides, S.N, Van Gelder, P.
Deposit date:2005-10-25
Release date:2006-03-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of a membrane-based steric chaperone in complex with its lipase substrate.
Nat.Struct.Mol.Biol., 13, 2006
2GXB
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BU of 2gxb by Molmil
Crystal Structure of The Za Domain bound to Z-RNA
Descriptor: 5'-R(P*(DU)P*CP*GP*CP*GP*CP*G)-3', Double-stranded RNA-specific adenosine deaminase, SODIUM ION
Authors:Athanasiadis, A, Placido, D, Rich, A.
Deposit date:2006-05-08
Release date:2007-05-01
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:A Left-Handed RNA Double Helix Bound by the Zalpha Domain of the RNA-Editing Enzyme ADAR1.
Structure, 15, 2007
4M11
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BU of 4m11 by Molmil
Crystal Structure of Murine Cyclooxygenase-2 Complex with Meloxicam
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-hydroxy-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide, ...
Authors:Xu, S, Banerjee, S, Hermanson, D.J, Marnett, L.J.
Deposit date:2013-08-02
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Oxicams Bind in a Novel Mode to the Cyclooxygenase Active Site via a Two-water-mediated H-bonding Network.
J.Biol.Chem., 289, 2014
2GYY
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BU of 2gyy by Molmil
Structure of aspartate semialdehyde dehydrogenase (ASADH) from Streptococcus pneumoniae
Descriptor: Aspartate beta-semialdehyde dehydrogenase
Authors:Faehnle, C.R, Le Coq, J, Liu, X, Viola, R.E.
Deposit date:2006-05-10
Release date:2006-08-15
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Examination of key intermediates in the catalytic cycle of aspartate-beta-semialdehyde dehydrogenase from a gram-positive infectious bacteria.
J.Biol.Chem., 281, 2006
4J5U
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BU of 4j5u by Molmil
X-ray crystal structure of a serine hydroxymethyltransferase with covalently bound PLP from Rickettsia rickettsii str. Sheila Smith
Descriptor: Serine hydroxymethyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2013-02-10
Release date:2013-03-13
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray crystal structure of a serine hydroxymethyltransferase with covalently bound PLP from Rickettsia rickettsii str. Sheila Smith
TO BE PUBLISHED
4M2U
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BU of 4m2u by Molmil
Carbonic Anhydrase II in complex with Dorzolamide
Descriptor: (4S-TRANS)-4-(ETHYLAMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO(2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE, Carbonic anhydrase 2, ZINC ION
Authors:Pinard, M.P, Boone, C.D, Rife, B.D, Supuran, C.T, Mckenna, R.
Deposit date:2013-08-05
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural study of interaction between brinzolamide and dorzolamide inhibition of human carbonic anhydrases.
Bioorg.Med.Chem., 21, 2013
4JIM
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BU of 4jim by Molmil
Native Crystal Structure of N10-Formyltetrahydrofolate Synthetase
Descriptor: 2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL, Formate--tetrahydrofolate ligase, SULFATE ION
Authors:Celeste, L.R, Lovelace, L.L, Lebioda, L.
Deposit date:2013-03-06
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Mechanism of N10-formyltetrahydrofolate synthetase derived from complexes with intermediates and inhibitors.
Protein Sci., 21, 2012
2ESK
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BU of 2esk by Molmil
Human Ubiquitin-Conjugating Enzyme (E2) UbcH5b, wild-type
Descriptor: Ubiquitin-conjugating enzyme E2 D2
Authors:Ozkan, E, Yu, H, Deisenhofer, J.
Deposit date:2005-10-26
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Mechanistic insight into the allosteric activation of a ubiquitin-conjugating enzyme by RING-type ubiquitin ligases
Proc.Natl.Acad.Sci.Usa, 102, 2005
2PMC
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BU of 2pmc by Molmil
Crystal Structure of CheY-Mg(2+) in Complex with CheZ(C15) Peptide solved from a P1 Crystal
Descriptor: Chemotaxis protein cheY, Chemotaxis protein cheZ, MAGNESIUM ION
Authors:Guhaniyogi, J, Stock, A.M.
Deposit date:2007-04-20
Release date:2008-01-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.688 Å)
Cite:Interaction of CheY with the C-terminal peptide of CheZ.
J.Bacteriol., 190, 2008
4JJ6
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BU of 4jj6 by Molmil
Crystal structure of a catalytic mutant of Axe2 (Axe2-H194A), an acetylxylan esterase from Geobacillus stearothermophilus
Descriptor: Acetyl xylan esterase, CHLORIDE ION, GLYCEROL
Authors:Lansky, S, Alalouf, O, Solomon, V, Alhassid, A, Belrahli, H, Govada, L, Chayan, N.E, Shoham, Y, Shoham, G.
Deposit date:2013-03-07
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:To be published
To be published
3EBU
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BU of 3ebu by Molmil
Replacement of Val3 in Human Thymidylate Synthase Affects Its Kinetic Properties and Intracellular Stability
Descriptor: 1,2-ETHANEDIOL, SULFATE ION, Thymidylate synthase
Authors:Huang, X, Gibson, L.M, Bell, B.J, Lovelace, L.L, Pena, M.M, Berger, F.G, Berger, S.H.
Deposit date:2008-08-28
Release date:2010-03-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Replacement of Val3 in human thymidylate synthase affects its kinetic properties and intracellular stability .
Biochemistry, 49, 2010

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