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3SHU
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BU of 3shu by Molmil
Crystal structure of ZO-1 PDZ3
Descriptor: Tight junction protein ZO-1
Authors:Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M.
Deposit date:2011-06-17
Release date:2011-09-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core
To be Published
3SJ7
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BU of 3sj7 by Molmil
Structure of beta-ketoacetyl-CoA reductase (FabG) from Staphylococcus aureus complex with NADPH
Descriptor: 3-oxoacyl-(Acyl-carrier-protein) reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TETRAETHYLENE GLYCOL
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-06-21
Release date:2012-01-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure and fluorescence studies reveal the role of helical dimeric interface of staphylococcal fabg1 in positive cooperativity for NADPH.
Proteins, 80, 2012
3U6W
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BU of 3u6w by Molmil
Truncated M. tuberculosis LeuA (1-425) complexed with KIV
Descriptor: 2-isopropylmalate synthase, 3-METHYL-2-OXOBUTANOIC ACID, GLYCEROL, ...
Authors:Koon, N, Baker, E.N, Squire, C.J.
Deposit date:2011-10-13
Release date:2012-03-14
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Removal of the C-terminal regulatory domain of alpha-isopropylmalate synthase disrupts functional substrate binding.
Biochemistry, 51, 2012
2HL8
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BU of 2hl8 by Molmil
SUMO protease Ulp1 with the catalytic cysteine oxidized to a sulfinic acid
Descriptor: Ubiquitin-like-specific protease 1
Authors:Xu, Z, Ng, T.B, Au, S.W.N.
Deposit date:2006-07-06
Release date:2007-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Molecular basis of the redox regulation of SUMO proteases: a protective mechanism of intermolecular disulfide linkage against irreversible sulfhydryl oxidation
Faseb J., 22, 2008
2HKP
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BU of 2hkp by Molmil
SUMO protease Ulp1 with the catalytic cysteine oxidized to a sulfenic acid
Descriptor: Ubiquitin-like-specific protease 1
Authors:Xu, Z, Ng, T.B, Au, S.W.N.
Deposit date:2006-07-05
Release date:2007-07-31
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular basis of the redox regulation of SUMO proteases: a protective mechanism of intermolecular disulfide linkage against irreversible sulfhydryl oxidation
Faseb J., 22, 2008
3RB9
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BU of 3rb9 by Molmil
Crystal structure of the M. tuberculosis beta clamp
Descriptor: DNA polymerase III subunit beta
Authors:Kukshal, V, Ramachandran, R.
Deposit date:2011-03-29
Release date:2012-04-04
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3 Å)
Cite:M. tuberculosis Sliding beta-Clamp Does Not Interact Directly with the NAD(+)-Dependent DNA Ligase
Plos One, 7, 2012
3TD6
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BU of 3td6 by Molmil
Peptidyl-tRNA hydrolase from Mycobacterium tuberculosis from trigonal partially dehydrated crystal
Descriptor: Peptidyl-tRNA hydrolase
Authors:Selvaraj, M, Ahmad, R, Varshney, U, Vijayan, M.
Deposit date:2011-08-10
Release date:2012-02-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structures of new crystal forms of Mycobacterium tuberculosis peptidyl-tRNA hydrolase and functionally important plasticity of the molecule
Acta Crystallogr.,Sect.F, 68, 2012
3TFM
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BU of 3tfm by Molmil
Myosin X PH1N-PH2-PH1C tandem
Descriptor: Myosin X, PHOSPHATE ION
Authors:Yu, J, Lu, Q, Yan, J, Wei, Z, Zhang, M.
Deposit date:2011-08-16
Release date:2011-12-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Structural basis of the myosin X PH1N-PH2-PH1C tandem as a specific and acute cellular PI(3,4,5)P3 sensor
MOLECULAR BIOLOGY OF THE CELL, 22, 2011
3UAM
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BU of 3uam by Molmil
Crystal structure of a chitin binding domain from Burkholderia pseudomallei
Descriptor: Chitin binding domain, GLYCEROL, NITRATE ION
Authors:Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2011-10-21
Release date:2011-11-02
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a chitin binding domain from Burkholderia pseudomallei
to be published
3TK5
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BU of 3tk5 by Molmil
Factor Xa in complex with D102-4380
Descriptor: 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid, CALCIUM ION, Factor X heavy chain, ...
Authors:Suzuki, M, Mochizuki, A, Nagata, T, Takano, H, Kanno, H, Kishida, M, Ohta, T.
Deposit date:2011-08-25
Release date:2012-08-29
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Zwitter ionic potent durable orally active Factor Xa inhibitor.
To be Published
3TZ6
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BU of 3tz6 by Molmil
Crystal structure of Aspartate semialdehyde dehydrogenase Complexed With inhibitor SMCS (CYS) And Phosphate From Mycobacterium tuberculosis H37Rv
Descriptor: Aspartate-semialdehyde dehydrogenase, CYSTEINE, GLYCEROL, ...
Authors:Vyas, R, Tewari, R, Weiss, M.S, Karthikeyan, S.
Deposit date:2011-09-27
Release date:2012-05-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structures of ternary complexes of aspartate-semialdehyde dehydrogenase (Rv3708c) from Mycobacterium tuberculosis H37Rv
Acta Crystallogr.,Sect.D, 68, 2012
2GHI
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BU of 2ghi by Molmil
Crystal Structure of Plasmodium yoelii Multidrug Resistance Protein 2
Descriptor: SULFATE ION, transport protein
Authors:Dong, A, Gao, M, Choe, J, Zhao, Y, Lew, J, Wasney, G, Alam, Z, Melone, M, Kozieradzki, I, Vedadi, M, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Hui, R, Artz, J.D, Structural Genomics Consortium (SGC)
Deposit date:2006-03-27
Release date:2006-04-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Genome-scale protein expression and structural biology of Plasmodium falciparum and related Apicomplexan organisms.
Mol.Biochem.Parasitol., 151, 2007
3QI1
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BU of 3qi1 by Molmil
Design and synthesis of hydroxyethylamine (hea) BACE-1 inhibitors: prime side chromane-containing inhibitors
Descriptor: Beta-secretase 1, N-[(2S,3R)-4-{[(2R,4S)-2-cyclopropyl-6-(2,2-dimethylpropyl)-3,4-dihydro-2H-chromen-4-yl]amino}-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]acetamide
Authors:Yao, N.
Deposit date:2011-01-26
Release date:2012-03-28
Last modified:2013-12-18
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design and synthesis of hydroxyethylamine (HEA) BACE-1 inhibitors: prime side chromane-containing inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
3QKD
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BU of 3qkd by Molmil
Crystal structure of Bcl-xL in complex with a Quinazoline sulfonamide inhibitor
Descriptor: (R)-N-(7-(4-((4'-chlorobiphenyl-2-yl)methyl)piperazin-1-yl)quinazolin-4-yl)-4-(4-(dimethylamino)-1-(phenylthio)butan-2-ylamino)-3-nitrobenzenesulfonamide, Bcl-2-like protein 1, CHLORIDE ION, ...
Authors:Czabotar, P.E, Smith, B.J.
Deposit date:2011-01-31
Release date:2011-04-06
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Quinazoline sulfonamides as dual binders of the proteins B-cell lymphoma 2 and B-cell lymphoma extra long with potent proapoptotic cell-based activity.
J.Med.Chem., 54, 2011
3QVT
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BU of 3qvt by Molmil
L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus wild-type with the intermediate 5-keto 1-phospho glucose
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, GLYCEROL, Myo-inositol-1-phosphate synthase (Ino1), ...
Authors:Neelon, K, Roberts, M.F, Stec, B.
Deposit date:2011-02-25
Release date:2012-01-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a trapped catalytic intermediate suggests that forced atomic proximity drives the catalysis of mIPS.
Biophys.J., 101, 2011
3Q6I
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BU of 3q6i by Molmil
Crystal structure of FabG4 and coenzyme binary complex
Descriptor: (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL, 3-oxoacyl-(Acyl-carrier-protein) reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Dutta, D, Bhattacharyya, S, Das, A.K.
Deposit date:2011-01-01
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of holoFabG4
To be Published
3QPY
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BU of 3qpy by Molmil
Crystal structure of a mutant (K57A) of 3-deoxy-D-manno-octulosonate 8-phosphate synthase (KDO8PS) from Neisseria meningitidis
Descriptor: 2-dehydro-3-deoxyphosphooctonate aldolase, CHLORIDE ION, GLYCEROL, ...
Authors:Allison, T.M, Jameson, G.B, Parker, E.J.
Deposit date:2011-02-14
Release date:2011-04-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Targeting the role of a key conserved motif for substrate selection and catalysis by 3-deoxy-D-manno-octulosonate 8-phosphate synthase
Biochemistry, 50, 2011
3TKT
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BU of 3tkt by Molmil
Crystal structure of CYP108D1 from Novosphingobium aromaticivorans DSM12444
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yang, W, Bell, S.G, Wang, H, Zhou, W, Bartlam, M, Wong, L.-L, Rao, Z.
Deposit date:2011-08-29
Release date:2012-02-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure and function of CYP108D1 from Novosphingobium aromaticivorans DSM12444: an aromatic hydrocarbon-binding P450 enzyme
Acta Crystallogr.,Sect.D, 68, 2012
3TOI
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BU of 3toi by Molmil
Tailoring Enzyme Stability and Exploiting Stability-Trait Linkage by Iterative Truncation and Optimization
Descriptor: Ampicillin resistance protein
Authors:Tam, H.K, Einsle, O.
Deposit date:2011-09-05
Release date:2012-05-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Exploring the Molecular Linkage of Protein Stability Traits for Enzyme Optimization by Iterative Truncation and Evolution.
Biochemistry, 51, 2012
3TTU
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BU of 3ttu by Molmil
Structure of F413Y/H128N double variant of E. coli KatE
Descriptor: Catalase HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Loewen, P.C, Jha, V.
Deposit date:2011-09-15
Release date:2011-10-12
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Mutation of Phe413 to Tyr in catalase KatE from Escherichia coli leads to side chain damage and main chain cleavage.
Arch.Biochem.Biophys., 525, 2012
3U4N
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BU of 3u4n by Molmil
A novel covalently linked insulin dimer
Descriptor: Insulin A chain, Insulin B chain
Authors:Norrman, M, Vinther, T.N.
Deposit date:2011-10-10
Release date:2012-04-11
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Novel covalently linked insulin dimer engineered to investigate the function of insulin dimerization.
Plos One, 7, 2012
3UG8
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BU of 3ug8 by Molmil
AKR1C3 complex with indomethacin at pH 7.5
Descriptor: 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member C3, INDOMETHACIN, ...
Authors:Flanagan, J.U, Yosaatmadja, Y, Teague, R.M, Chai, M, Squire, C.J.
Deposit date:2011-11-02
Release date:2012-08-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
4U6E
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BU of 4u6e by Molmil
HsMetAP in complex with (amino(phenyl)methyl)phosphonic acid
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, [(R)-amino(phenyl)methyl]phosphonic acid
Authors:Arya, T, Addlagatta, A.
Deposit date:2014-07-28
Release date:2015-03-25
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Identification of the Molecular Basis of Inhibitor Selectivity between the Human and Streptococcal Type I Methionine Aminopeptidases
J.Med.Chem., 58, 2015
3LJF
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BU of 3ljf by Molmil
The X-ray structure of iron superoxide dismutase from Pseudoalteromonas haloplanktis (crystal form II)
Descriptor: FE (III) ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, iron superoxide dismutase
Authors:Merlino, A, Russo Krauss, I, Rossi, B, Conte, M, Vergara, A, Sica, F.
Deposit date:2010-01-26
Release date:2010-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure and flexibility in cold-adapted iron superoxide dismutases: the case of the enzyme isolated from Pseudoalteromonas haloplanktis.
J.Struct.Biol., 172, 2010
5WMF
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BU of 5wmf by Molmil
Crystal structure of the Hexameric Ring of Epstein-Barr Virus Nuclear Antigen-1, EBNA1
Descriptor: Epstein-Barr nuclear antigen 1
Authors:Messick, T.E.
Deposit date:2017-07-28
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Basis for an EBNA1 Hexameric Ring in Epstein-Barr Virus Episome Maintenance.
J. Virol., 91, 2017

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