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3QRQ
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BU of 3qrq by Molmil
Structure of Thermus Thermophilus Cse3 bound to an RNA representing a pre-cleavage complex
Descriptor: Putative uncharacterized protein TTHB192, RNA (5'-R(*GP*UP*CP*CP*CP*CP*AP*CP*GP*CP*GP*UP*GP*UP*GP*GP*GP*GP*A)-3')
Authors:Schellenberg, M.J, Gesner, E.G, Garside, E.L, MacMillan, A.M.
Deposit date:2011-02-18
Release date:2011-05-25
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.194 Å)
Cite:Recognition and maturation of effector RNAs in a CRISPR interference pathway.
Nat.Struct.Mol.Biol., 18, 2011
3FCK
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BU of 3fck by Molmil
Complex of UNG2 and a fragment-based design inhibitor
Descriptor: 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid, Uracil-DNA glycosylase
Authors:Bianchet, M.A, Chung, S, Parker, J.B, Amzel, L.M, Stivers, J.T.
Deposit date:2008-11-21
Release date:2009-04-28
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Impact of linker strain and flexibility in the design of a fragment-based inhibitor
Nat.Chem.Biol., 5, 2009
4HKL
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BU of 4hkl by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II Complexed with substrate (1.15 A) and Products (1.6 A)
Descriptor: Endo-1,4-beta-xylanase 2, IODIDE ION
Authors:Langan, P, Wan, Q, Coates, L, Kovalevsky, A.
Deposit date:2012-10-15
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:X-ray crystallographic studies of family 11 xylanase Michaelis and product complexes: implications for the catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
3QSA
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BU of 3qsa by Molmil
Anthranilate phosphoribosyltransferase (trpD) from Mycobacterium tuberculosis (complex with inhibitor TAMU-A7)
Descriptor: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 4,4,4-trifluoro-1-(4-methoxyphenyl)butane-1,3-dione, Anthranilate phosphoribosyltransferase, ...
Authors:Castell, A, Short, F.L, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
Deposit date:2011-02-20
Release date:2012-08-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Inhibition of Mycobacterium tuberculosis anthranilate phosphoribosyltransferase by blocking of an active site entrance tunnel.
To be Published
3FEH
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BU of 3feh by Molmil
Crystal structure of full length centaurin alpha-1
Descriptor: Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION
Authors:Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2008-11-29
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
3FB1
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BU of 3fb1 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase in Complex with Ribose-1-Phosphate
Descriptor: 1-O-phosphono-alpha-D-ribofuranose, ACETATE ION, Purine-nucleoside phosphorylase
Authors:Pereira, H.M, Garratt, R.C, Oliva, G.
Deposit date:2008-11-18
Release date:2009-11-24
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Purine nucleoside phosphorylase from Schistosoma mansoni in complex with ribose-1-phosphate.
J.Synchrotron Radiat., 18, 2011
4HME
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BU of 4hme by Molmil
Crystal structure of cold-adapted chitinase from Moritella marina with a reaction product - NAG2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase 60, GLYCEROL, ...
Authors:Malecki, P.H, Vorgias, C.E, Raczynska, J.E, Rypniewski, W.
Deposit date:2012-10-18
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Structure of a complete four-domain chitinase from Moritella marina, a marine psychrophilic bacterium
Acta Crystallogr.,Sect.D, 69, 2013
3QUV
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BU of 3quv by Molmil
Crystal structure of a tRNA-guanine-N1-methyltransferase from Mycobacterium abscessus
Descriptor: 1,2-ETHANEDIOL, tRNA (guanine-N(1)-)-methyltransferase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-02-24
Release date:2011-03-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HOG
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BU of 4hog by Molmil
Candida glabrata dihydrofolate reductase complexed with NADPH and 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine (UCP111H)
Descriptor: 5-[3-(2-methoxy-4-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine, CHLORIDE ION, Dihydrofolate Reductase, ...
Authors:Paulsen, J.L, Anderson, A.C.
Deposit date:2012-10-22
Release date:2014-03-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Propargyl-Linked Antifolates are Dual Inhibitors of Candida albicans and Candida glabrata.
J.Med.Chem., 57, 2014
3QTP
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BU of 3qtp by Molmil
Crystal Structure Analysis of Entamoeba histolytica Enolase
Descriptor: 2-PHOSPHOGLYCERIC ACID, Enolase 1, MAGNESIUM ION, ...
Authors:Schulz, E.C, Ficner, R.
Deposit date:2011-02-23
Release date:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure analysis of Entamoeba histolytica enolase.
Acta Crystallogr.,Sect.D, 67, 2011
4HOV
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BU of 4hov by Molmil
DypB N246A in complex with manganese
Descriptor: CHLORIDE ION, DypB, FORMIC ACID, ...
Authors:Grigg, J.C, Singh, R, Eltis, L.D, Murphy, M.E.P.
Deposit date:2012-10-22
Release date:2013-01-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Improved Manganese-Oxidizing Activity of DypB, a Peroxidase from a Lignolytic Bacterium.
Acs Chem.Biol., 8, 2013
3QW3
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BU of 3qw3 by Molmil
Structure of Leishmania donovani OMP decarboxylase
Descriptor: Orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative (Ompdcase-oprtase, putative), ...
Authors:French, J.B, Ealick, S.E.
Deposit date:2011-02-26
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
3QW4
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BU of 3qw4 by Molmil
Structure of Leishmania donovani UMP synthase
Descriptor: CHLORIDE ION, UMP synthase, URIDINE-5'-MONOPHOSPHATE
Authors:French, J.B, Ealick, S.E.
Deposit date:2011-02-26
Release date:2011-04-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3 Å)
Cite:The Leishmania donovani UMP synthase is essential for promastigote viability and has an unusual tetrameric structure that exhibits substrate-controlled oligomerization.
J.Biol.Chem., 286, 2011
2IG6
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BU of 2ig6 by Molmil
Crystal structure of a nimc/nima family protein (ca_c2569) from clostridium acetobutylicum at 1.80 A resolution
Descriptor: 1,2-ETHANEDIOL, FLAVIN MONONUCLEOTIDE, NimC/NimA family protein, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2006-09-22
Release date:2006-10-10
Last modified:2023-01-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of NimC/NimA family protein (NP_349178.1) from Clostridium Acetobutylicum at 1.80 A resolution
To be published
4HR3
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BU of 4hr3 by Molmil
Structure of a putative acyl-CoA dehydrogenase from Mycobacterium abscessus
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Putative acyl-CoA dehydrogenase
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2012-10-26
Release date:2012-11-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increasing the structural coverage of tuberculosis drug targets.
Tuberculosis (Edinb), 95, 2015
4HRN
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BU of 4hrn by Molmil
Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2
Descriptor: Designed Ankyrin Repeat Protein H10-2-G, Receptor tyrosine-protein kinase erbB-2
Authors:Jost, C, Schilling, J, Plueckthun, A.
Deposit date:2012-10-28
Release date:2013-10-16
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Eliciting a Cytotoxic Effect in HER2-Overexpressing Cancer Cells via Binding to the Extracellular Domain of HER2.
Structure, 21, 2013
4HHV
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BU of 4hhv by Molmil
Crystal structure of ceramide transfer protein pleckstrin homology domain
Descriptor: ACETATE ION, CHLORIDE ION, Collagen type IV alpha-3-binding protein, ...
Authors:Prashek, J, Truong, T, Yao, X.
Deposit date:2012-10-10
Release date:2013-11-27
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Crystal Structure of the Pleckstrin Homology Domain from the Ceramide Transfer Protein: Implications for Conformational Change upon Ligand Binding.
Plos One, 8, 2013
3F0Z
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BU of 3f0z by Molmil
Crystal structure of Clostridium acetobutylicum 8-oxoguanine glycosylase/lyase in its apo-form
Descriptor: 8-oxoguanine-DNA-glycosylase, GLYCEROL
Authors:Faucher, F, Doublie, S.
Deposit date:2008-10-27
Release date:2009-04-07
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural characterization of Clostridium acetobutylicum 8-oxoguanine DNA glycosylase in its apo form and in complex with 8-oxodeoxyguanosine.
J.Mol.Biol., 387, 2009
3S13
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BU of 3s13 by Molmil
Crystal structure of H5N1 influenza virus hemagglutinin, strain YU562 crystal form 2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ...
Authors:DuBois, R.M, Zaraket, H, Reddivari, M, Heath, R.J, White, S.W, Russell, C.J.
Deposit date:2011-05-14
Release date:2011-12-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.96 Å)
Cite:Acid stability of the hemagglutinin protein regulates H5N1 influenza virus pathogenicity.
Plos Pathog., 7, 2011
3S8S
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BU of 3s8s by Molmil
Crystal structure of the RRM domain of human SETD1A
Descriptor: Histone-lysine N-methyltransferase SETD1A, UNKNOWN ATOM OR ION
Authors:Chao, X, Tempel, W, Bian, C, Cerovina, T, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2011-05-30
Release date:2011-06-08
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal structure of the RRM domain of human SETD1A
to be published
3FPO
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BU of 3fpo by Molmil
HSSNNF segment from Islet Amyloid Polypeptide (IAPP or Amylin)
Descriptor: HSSNNF hexapeptide segment from Islet Amyloid Polypeptide
Authors:Wiltzius, J.J.W, Sawaya, M.R, Eisenberg, D.
Deposit date:2009-01-05
Release date:2009-06-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular mechanisms for protein-encoded inheritance.
Nat.Struct.Mol.Biol., 16, 2009
4HN4
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BU of 4hn4 by Molmil
Tryptophan synthase in complex with alpha aminoacrylate E(A-A) form and the F9 inhibitor in the alpha site
Descriptor: 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE, 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid, BICINE, ...
Authors:Hilario, E, Niks, D, Dunn, M.F, Mueller, L.J, Fan, L.
Deposit date:2012-10-18
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Allostery and substrate channeling in the tryptophan synthase bienzyme complex: evidence for two subunit conformations and four quaternary states.
Biochemistry, 52, 2013
3SB7
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BU of 3sb7 by Molmil
Cu-mediated Trimer of T4 Lysozyme D61H/K65H/R76H/R80H by Synthetic Symmetrization
Descriptor: COPPER (II) ION, GLYCEROL, Lysozyme
Authors:Soriaga, A.B, Laganowsky, A, Zhao, M, Sawaya, M.R, Cascio, D, Yeates, T.O.
Deposit date:2011-06-03
Release date:2011-09-21
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An approach to crystallizing proteins by metal-mediated synthetic symmetrization.
Protein Sci., 20, 2011
3SBH
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BU of 3sbh by Molmil
Crystal structure of human carbonic anhydrase isozyme II with 4-{[(4,6-dimethyl-2-pyrimidinyl)sulfanyl]acetyl}benzenesulfonamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]acetyl}benzenesulfonamide, BICINE, ...
Authors:Grazulis, S, Manakova, E, Tamulaitiene, G.
Deposit date:2011-06-05
Release date:2012-04-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Design of [(2-pyrimidinylthio)acetyl]benzenesulfonamides as inhibitors of human carbonic anhydrases.
Eur.J.Med.Chem., 51, 2012
4HNK
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BU of 4hnk by Molmil
Crystal structure of an Enzyme
Descriptor: ATP-dependent Clp protease proteolytic subunit, GLYCEROL
Authors:El Bakkouri, M, Calmettes, C, Wernimont, A.K, Houry, W.A, Hui, R, Structural Genomics Consortium (SGC)
Deposit date:2012-10-19
Release date:2012-12-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insights into the Inactive Subunit of the Apicoplast-localized Caseinolytic Protease Complex of Plasmodium falciparum.
J.Biol.Chem., 288, 2013

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