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3H51
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BU of 3h51 by Molmil
Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, Putative calcium/calmodulin dependent protein kinase II association domain, TETRAETHYLENE GLYCOL, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-04-21
Release date:2009-05-05
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Putative calcium/calmodulin dependent protein kinase II association domain (NP_636218.1) from XANTHOMONAS CAMPESTRIS at 1.70 A resolution
To be published
5O0H
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BU of 5o0h by Molmil
Crystal structure of Phosphopantetheine adenylyltransferase from Mycobacterium abcessus in complex with 2-(4-Chloro-3-nitrobenzoyl)benzoic acid (Fragment 6)
Descriptor: 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoic acid, Phosphopantetheine adenylyltransferase
Authors:Thomas, S.E, Kim, S.Y, Mendes, V, Blaszczyk, M, Blundell, T.L.
Deposit date:2017-05-16
Release date:2017-06-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Structural Biology and the Design of New Therapeutics: From HIV and Cancer to Mycobacterial Infections: A Paper Dedicated to John Kendrew.
J. Mol. Biol., 429, 2017
4JBF
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BU of 4jbf by Molmil
Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469.
Descriptor: Peptidoglycan glycosyltransferase, TETRAETHYLENE GLYCOL
Authors:Filippova, E.V, Wawrzak, Z, Minasov, G, Shuvalova, L, Kiryukhina, O, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Deposit date:2013-02-19
Release date:2013-03-20
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of peptidoglycan glycosyltransferase from Atopobium parvulum DSM 20469.
To be Published
3H9P
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BU of 3h9p by Molmil
Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus
Descriptor: CHLORIDE ION, GLYCEROL, TETRAETHYLENE GLYCOL, ...
Authors:Chang, C, Wu, R, Gu, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2009-04-30
Release date:2009-05-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of putative triphosphoribosyl-dephospho-coA synthase from Archaeoglobus fulgidus
To be Published
3H5X
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BU of 3h5x by Molmil
Crystal Structure of 2'-amino-2'-deoxy-cytidine-5'-triphosphate bound to Norovirus GII RNA polymerase
Descriptor: 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate), 5'-R(*UP*GP*CP*CP*CP*GP*GP*G)-3', 5'-R(P*UP*GP*CP*CP*CP*GP*GP*GP*C)-3', ...
Authors:Zamyatkin, D.F, Parra, F, Machin, A, Grochulski, P, Ng, K.K.S.
Deposit date:2009-04-22
Release date:2009-05-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of 2'-amino-2'-deoxycytidine-5'-triphosphate to norovirus polymerase induces rearrangement of the active site.
J.Mol.Biol., 390, 2009
3ET4
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BU of 3et4 by Molmil
Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase
Descriptor: MAGNESIUM ION, Outer membrane protein P4, NADP phosphatase, ...
Authors:Tanner, J.J.
Deposit date:2008-10-06
Release date:2008-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase Reveals a New Member of the Haloacid Dehalogenase Superfamily.
Biochemistry, 46, 2007
3ET5
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BU of 3et5 by Molmil
Structure of Recombinant Haemophilus Influenzae E(P4) Acid Phosphatase Complexed with tungstate
Descriptor: MAGNESIUM ION, Outer membrane protein P4, NADP phosphatase, ...
Authors:Tanner, J.J.
Deposit date:2008-10-06
Release date:2008-10-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of Recombinant Haemophilus Influenzae E (P4) Acid Phosphatase Reveals a New Member of the Haloacid Dehalogenase Superfamily.
Biochemistry, 46, 2007
3N6Y
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BU of 3n6y by Molmil
Crystal structure of an immunoglobulin-like protein (PA1606) from PSEUDOMONAS AERUGINOSA at 1.50 A resolution
Descriptor: SULFATE ION, TETRAETHYLENE GLYCOL, immunoglobulin-like protein
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-26
Release date:2010-07-21
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of an immunoglobulin-like protein (PA1606) from PSEUDOMONAS AERUGINOSA at 1.50 A resolution
To be published
4QDF
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BU of 4qdf by Molmil
Crystal structure of apo KshA5 and KshA1 in complex with 1,4-30Q-CoA from R. rhodochrous
Descriptor: 3-ketosteroid 9alpha-hydroxylase oxygenase, FE (II) ION, FE2/S2 (INORGANIC) CLUSTER, ...
Authors:Penfield, J, Worrall, L.J, Strynadka, N.C, Eltis, L.D.
Deposit date:2014-05-13
Release date:2014-07-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Substrate specificities and conformational flexibility of 3-ketosteroid 9 alpha-hydroxylases.
J.Biol.Chem., 289, 2014
1P8U
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BU of 1p8u by Molmil
BACTERIORHODOPSIN N' INTERMEDIATE AT 1.62 A RESOLUTION
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, 2,10,23-TRIMETHYL-TETRACOSANE, Bacteriorhodopsin, ...
Authors:Lanyi, J.K.
Deposit date:2003-05-07
Release date:2003-07-08
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystallographic Structures of the M and N Intermediates of Bacteriorhodopsin: Assembly of a Hydrogen-Bonded Chain of Water Molecules between Asp-96 and the Retinal Schiff Base
J.Mol.Biol., 330, 2003
3F3A
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BU of 3f3a by Molmil
Crystal Structure of LeuT bound to L-Tryptophan and Sodium
Descriptor: SODIUM ION, TETRADECANE, TRYPTOPHAN, ...
Authors:Singh, S.K, Piscitelli, C.L, Yamashita, A, Gouaux, E.
Deposit date:2008-10-30
Release date:2008-12-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:A competitive inhibitor traps LeuT in an open-to-out conformation.
Science, 322, 2008
4I40
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BU of 4i40 by Molmil
crystal structure of Staphylococcal inositol monophosphatase-1: 50mM LiCl inhibited complex
Descriptor: GLYCEROL, Inositol monophosphatase family protein, MAGNESIUM ION, ...
Authors:Dutta, A, Bhattacharyya, S, Dutta, D, Das, A.K.
Deposit date:2012-11-27
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural elucidation of the binding site and mode of inhibition of Li(+) and Mg(2+) in inositol monophosphatase.
Febs J., 281, 2014
4I4K
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BU of 4i4k by Molmil
Streptomyces globisporus C-1027 9-membered enediyne conserved protein SgcE6
Descriptor: CITRIC ACID, GLYCEROL, PENTAETHYLENE GLYCOL, ...
Authors:Kim, Y, Bigelow, L, Clancy, S, Babnigg, J, Bingman, C.A, Yennamalli, R, Lohman, J.R, Ma, M, Shen, B, Phillips Jr, G.N, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Enzyme Discovery for Natural Product Biosynthesis (NatPro)
Deposit date:2012-11-27
Release date:2012-12-12
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of SgcJ, an NTF2-like superfamily protein involved in biosynthesis of the nine-membered enediyne antitumor antibiotic C-1027.
J Antibiot (Tokyo), 69, 2016
4I6S
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BU of 4i6s by Molmil
Structure of RSL mutant W76A in complex with L-fucose
Descriptor: 1,2-ETHANEDIOL, Putative fucose-binding lectin protein, TETRAETHYLENE GLYCOL, ...
Authors:Audfray, A, Arnaud, J, Varrot, A, Imberty, A.
Deposit date:2012-11-30
Release date:2013-07-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Reduction of lectin valency drastically changes glycolipid dynamics in membranes but not surface avidity
Acs Chem.Biol., 8, 2013
4E1K
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BU of 4e1k by Molmil
GlmU in complex with a Quinazoline Compound
Descriptor: Bifunctional protein GlmU, N-{4-[(7-hydroxy-6-methoxyquinazolin-4-yl)amino]phenyl}benzamide, SULFATE ION, ...
Authors:Larsen, N.A, Doig, P.
Deposit date:2012-03-06
Release date:2013-05-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:An aminoquinazoline inhibitor of the essential bacterial cell wall synthetic enzyme GlmU has a unique non-protein-kinase-like binding mode.
Biochem.J., 446, 2012
4HOQ
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BU of 4hoq by Molmil
Crystal Structure of Full-Length Human IFIT5
Descriptor: Interferon-induced protein with tetratricopeptide repeats 5
Authors:Abbas, Y.M, Pichlmair, A, Gorna, M.W, Superti-Furga, G, Nagar, B.
Deposit date:2012-10-22
Release date:2013-01-23
Last modified:2013-02-27
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structural basis for viral 5'-PPP-RNA recognition by human IFIT proteins.
Nature, 494, 2013
3Q2N
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BU of 3q2n by Molmil
Mouse E-cadherin EC1-2 L175D mutant
Descriptor: CALCIUM ION, Cadherin-1, TETRAETHYLENE GLYCOL
Authors:Harrison, O.J, Jin, X, Shapiro, L.
Deposit date:2010-12-20
Release date:2011-02-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:The extracellular architecture of adherens junctions revealed by crystal structures of type I cadherins.
Structure, 19, 2011
4TPR
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BU of 4tpr by Molmil
Structure of Tau5 antibody Fab fragment
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, CHLORIDE ION, ...
Authors:Cehlar, O, Skrabana, R, Novak, M.
Deposit date:2014-06-09
Release date:2015-07-29
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Tau5 antibody Fab fragment
To Be Published
3PYI
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BU of 3pyi by Molmil
Structure of the N-terminal domain of C. elegans SAS-6
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Spindle assembly abnormal protein 6, TETRAETHYLENE GLYCOL
Authors:Vakonakis, I, Steinmetz, M.O.
Deposit date:2010-12-13
Release date:2011-02-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.104 Å)
Cite:Structural basis of the 9-fold symmetry of centrioles.
Cell(Cambridge,Mass.), 144, 2011
4R42
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BU of 4r42 by Molmil
Crystal structure of KatB, a manganese catalase from Anabaena PCC7120
Descriptor: Alr3090 protein, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Bihani, S.C.
Deposit date:2014-08-19
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:KatB, a cyanobacterial Mn-catalase with unique active site configuration: Implications for enzyme function.
Free Radic. Biol. Med., 93, 2016
1NFV
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BU of 1nfv by Molmil
X-ray structure of Desulfovibrio desulfuricans bacterioferritin: the diiron centre in different catalytic states (as-isolated structure)
Descriptor: 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX, 3-HYDROXYPYRUVIC ACID, FE (III) ION, ...
Authors:Macedo, S, Romao, C.V, Mitchell, E, Matias, P.M, Liu, M.Y, Xavier, A.V, LeGall, J, Teixeira, M, Lindley, P, Carrondo, M.A.
Deposit date:2002-12-16
Release date:2003-04-01
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The nature of the di-iron site in the bacterioferritin from Desulfovibrio desulfuricans
NAT.STRUCT.BIOL., 10, 2003
4JM2
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BU of 4jm2 by Molmil
Crystal Structure of PGT 135 Fab in Complex with gp120 Core Protein from HIV-1 Strain JR-FL Bound to CD4 and 17b Fab
Descriptor: 17b Heavy chain, 17b Light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kong, L, Wilson, I.A.
Deposit date:2013-03-13
Release date:2013-05-29
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Supersite of immune vulnerability on the glycosylated face of HIV-1 envelope glycoprotein gp120.
Nat.Struct.Mol.Biol., 20, 2013
4JFX
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BU of 4jfx by Molmil
Structure of phosphotyrosine (pTyr) scaffold bound to pTyr peptide
Descriptor: Fab heavy chain, Fab light chain, Phosphopeptide, ...
Authors:Koerber, J.T, Thomsen, N.D, Hannigan, B.T, Degrado, W.F, Wells, J.A.
Deposit date:2013-02-28
Release date:2013-09-25
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Nature-inspired design of motif-specific antibody scaffolds.
Nat.Biotechnol., 31, 2013
4IBL
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BU of 4ibl by Molmil
Rubidium Sites in Blood Coagulation Factor VIIa
Descriptor: BENZAMIDINE, CALCIUM ION, CHLORIDE ION, ...
Authors:Vadivel, K, Schmidt, A, Cascio, D, Padmanabhan, K, Bajaj, S.P.
Deposit date:2012-12-08
Release date:2014-04-16
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of human factor VIIa-soluble tissue factor with calcium, magnesium and rubidium
Acta Crystallogr.,Sect.D, D77, 2021
3PSY
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BU of 3psy by Molmil
Endothiapepsin in complex with an inhibitor based on the Gewald reaction
Descriptor: DIMETHYL SULFOXIDE, Endothiapepsin, GLYCEROL, ...
Authors:Koester, H, Heine, A, Klebe, G.
Deposit date:2010-12-02
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Tracing binding modes in hit-to-lead optimization: chameleon-like poses of aspartic protease inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015

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