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3H9B
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BU of 3h9b by Molmil
Structure of a mutant methionyl-tRNA synthetase with modified specificity complexed with azidonorleucine
Descriptor: 6-azido-L-norleucine, CITRIC ACID, Methionyl-tRNA synthetase, ...
Authors:Schmitt, E, Tanrikulu, I.C, Yoo, T.H, Panvert, M, Tirrell, D.A, Mechulam, Y.
Deposit date:2009-04-30
Release date:2009-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Switching from an induced-fit to a lock-and-key mechanism in an aminoacyl-tRNA synthetase with modified specificity.
J.Mol.Biol., 394, 2009
3W77
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BU of 3w77 by Molmil
Crystal Structure of azoreductase AzrA
Descriptor: FLAVIN MONONUCLEOTIDE, FMN-dependent NADH-azoreductase
Authors:Ogata, D, Yu, J, Ooi, T, Yao, M.
Deposit date:2013-02-27
Release date:2014-02-12
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Structures of AzrA and of AzrC complexed with substrate or inhibitor: insight into substrate specificity and catalytic mechanism.
Acta Crystallogr.,Sect.D, 70, 2014
2P5Y
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BU of 2p5y by Molmil
Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UDP-glucose 4-epimerase
Authors:Fu, Z.-Q, Chen, L, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhu, J, Swindell, J.T, Chrzas, J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-16
Release date:2007-04-17
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal structure of Thermus thermophilus HB8 UDP-glucose 4-epimerase complex with NAD
To be Published
3W6L
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BU of 3w6l by Molmil
Contribution of disulfide bond toward thermostability in hyperthermostable endocellulase
Descriptor: 458aa long hypothetical endo-1,4-beta-glucanase, PHOSPHATE ION
Authors:Kim, H.-W, Ishikawa, K.
Deposit date:2013-02-15
Release date:2013-05-29
Last modified:2017-11-22
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:The role of disulfide bond in hyperthermophilic endocellulase
Extremophiles, 17, 2013
3GKN
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BU of 3gkn by Molmil
Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris Bacterioferritin Comigratory Protein from the Trapped Intermediate/Ligand Complex Structures
Descriptor: Bacterioferritin comigratory protein, GLYCEROL, NAPHTHALENE-2,6-DISULFONIC ACID, ...
Authors:Liao, S.-J.
Deposit date:2009-03-11
Release date:2009-06-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Insights into the alkyl peroxide reduction pathway of Xanthomonas campestris bacterioferritin comigratory protein from the trapped intermediate-ligand complex structures
J.Mol.Biol., 390, 2009
2P83
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BU of 2p83 by Molmil
Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1
Descriptor: Beta-secretase 1, N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE, PHOSPHATE ION
Authors:Benson, T.E, Prince, D.B, Tomasselli, A.G, Emmons, T.L, Paddock, D.J.
Deposit date:2007-03-21
Release date:2007-06-19
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Potent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Bioorg.Med.Chem.Lett., 17, 2007
2P1W
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BU of 2p1w by Molmil
structure of the phosphothreonine lyase SpvC, the effector protein from Salmonella
Descriptor: 27.5 kDa virulence protein
Authors:Zhu, Y, Wang, D.C, Shao, F.
Deposit date:2007-03-06
Release date:2007-12-11
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insights into the enzymatic mechanism of the pathogenic MAPK phosphothreonine lyase.
Mol.Cell, 28, 2007
2P93
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BU of 2p93 by Molmil
Factor xa in complex with the inhibitor 5-chloro-N-(2-(4-(2-oxopyridin-1(2H)-yl)benzamido)ethyl)thiophene-2-carboxamide
Descriptor: 5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE, Factor Xa
Authors:Chang, C.-H.
Deposit date:2007-03-23
Release date:2007-07-24
Last modified:2017-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:SAR and X-ray structures of enantiopure 1,2-cis-(1R,2S)-cyclopentyldiamine and cyclohexyldiamine derivatives as inhibitors of coagulation Factor Xa
Bioorg.Med.Chem.Lett., 17, 2007
3H0U
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BU of 3h0u by Molmil
Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
Descriptor: DIMETHYL SULFOXIDE, Putative enoyl-CoA hydratase, SODIUM ION
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Miller, S, Romero, R, Wasserman, S, Sauder, J.M, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-04-10
Release date:2009-04-21
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of a putative enoyl-CoA hydratase from Streptomyces avermitilis
To be Published
2P9T
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BU of 2p9t by Molmil
Crystal Structure of Phosphoglycerate Kinase-2 bound to 3-phosphoglycerate
Descriptor: 3-PHOSPHOGLYCERIC ACID, Phosphoglycerate kinase, testis specific
Authors:Sawyer, G.M, Monzingo, A.F, Poteet, E.C, Robertus, J.D.
Deposit date:2007-03-26
Release date:2007-11-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:X-ray analysis of phosphoglycerate kinase 2, a sperm-specific isoform from Mus musculus.
Proteins, 71, 2007
3Q6T
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BU of 3q6t by Molmil
Salivary protein from Lutzomyia longipalpis, Ligand free
Descriptor: 43.2 kDa salivary protein, CITRIC ACID
Authors:Andersen, J.F, Xu, X, Chang, B.W, Collin, N, Valenzuela, J.G, Ribeiro, J.M.
Deposit date:2011-01-03
Release date:2011-07-27
Last modified:2019-10-23
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Structure and function of a "yellow" protein from saliva of the sand fly Lutzomyia longipalpis that confers protective immunity against Leishmania major infection.
J.Biol.Chem., 286, 2011
3Q9O
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BU of 3q9o by Molmil
Full-length Cholix toxin from Vibrio cholerae in complex with NAD
Descriptor: GLYCEROL, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, exotoxin A
Authors:Merrill, A.R, Jorgensen, R, Fieldhouse, R.J.
Deposit date:2011-01-09
Release date:2012-01-04
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.793 Å)
Cite:The 1.8 a cholix toxin crystal structure in complex with NAD+ and evidence for a new kinetic model.
J.Biol.Chem., 287, 2012
3GQ4
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BU of 3gq4 by Molmil
Sequence-matched MutM Lesion Recognition Complex 5 (LRC5)
Descriptor: DNA (5'-D(*AP*GP*GP*TP*AP*GP*AP*CP*CP*CP*GP*GP*AP*CP*GP*C)-3'), DNA (5'-D(*TP*GP*CP*GP*TP*CP*CP*GP*(8OG)P*GP*TP*CP*TP*AP*CP*C)-3'), DNA glycosylase, ...
Authors:Spong, M.C, Qi, Y, Verdine, G.L.
Deposit date:2009-03-23
Release date:2009-11-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Encounter and extrusion of an intrahelical lesion by a DNA repair enzyme.
Nature, 462, 2009
3H58
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BU of 3h58 by Molmil
Myoglobin Cavity Mutant H64LV68N Met form
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Soman, J, Olson, J.S.
Deposit date:2009-04-21
Release date:2009-05-05
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Optical detection of disordered water within a protein cavity.
J.Am.Chem.Soc., 131, 2009
3GQY
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BU of 3gqy by Molmil
Activator-Bound Structure of Human Pyruvate Kinase M2
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine, L(+)-TARTARIC ACID, ...
Authors:Hong, B, Dimov, S, Tempel, W, Auld, D, Thomas, C, Boxer, M, Jianq, J.-K, Skoumbourdis, A, Min, S, Southall, N, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Inglese, J, Park, H, Structural Genomics Consortium (SGC)
Deposit date:2009-03-24
Release date:2009-04-07
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Activator-Bound Structures of Human Pyruvate Kinase M2
to be published
2P5G
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BU of 2p5g by Molmil
Crystal structure of RB69 gp43 in complex with DNA with dAMP opposite an abasic site analog in a 21mer template
Descriptor: DNA polymerase, Primer DNA, Template DNA
Authors:Zahn, K.E, Belrhali, H, Wallace, S.S, Doublie, S.
Deposit date:2007-03-15
Release date:2007-10-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Caught bending the a-rule: crystal structures of translesion DNA synthesis with a non-natural nucleotide.
Biochemistry, 46, 2007
2OTZ
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BU of 2otz by Molmil
N-methylaniline in complex with T4 Lysozyme L99A
Descriptor: Lysozyme, N-METHYLANILINE, PHOSPHATE ION
Authors:Graves, A.P, Shoichet, B.K.
Deposit date:2007-02-09
Release date:2007-08-07
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Predicting absolute ligand binding free energies to a simple model site.
J.Mol.Biol., 371, 2007
3Q9G
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BU of 3q9g by Molmil
VQIVY segment from Alzheimer's tau displayed on 42-membered macrocycle scaffold
Descriptor: ACETIC ACID, Cyclic pseudo-peptide VQIV(4BF)(ORN)(HAO)KL(ORN), GLYCEROL
Authors:Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
Deposit date:2011-01-07
Release date:2011-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3Q9J
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BU of 3q9j by Molmil
AIIFL segment derived from Alzheimer's Amyloid-Beta displayed on 42-membered macrocycle scaffold
Descriptor: CHLORIDE ION, Cyclic pseudo-peptide AIIFL(ORN)(HAO)YK(ORN), GLYCEROL, ...
Authors:Liu, C, Sawaya, M.R, Eisenberg, D, Nowick, J.S, Cheng, P, Zheng, J.
Deposit date:2011-01-07
Release date:2011-06-08
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characteristics of Amyloid-Related Oligomers Revealed by Crystal Structures of Macrocyclic beta-Sheet Mimics.
J.Am.Chem.Soc., 133, 2011
3GMW
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BU of 3gmw by Molmil
Crystal Structure of Beta-Lactamse Inhibitory Protein-I (BLIP-I) in Complex with TEM-1 Beta-Lactamase
Descriptor: B-lactamase, Beta-lactamase inhibitory protein BLIP-I, PHOSPHATE ION
Authors:Lim, D.C, Gretes, M, Strynadka, N.C.J.
Deposit date:2009-03-15
Release date:2009-03-31
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into positive and negative requirements for protein-protein interactions by crystallographic analysis of the beta-lactamase inhibitory proteins BLIP, BLIP-I, and BLP.
J.Mol.Biol., 389, 2009
3GQ2
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BU of 3gq2 by Molmil
Crystal Structure of the Dimer of the p115 Tether Globular Head Domain
Descriptor: General vesicular transport factor p115
Authors:An, Y, Elsliger, M.A, Wilson, I.A.
Deposit date:2009-03-23
Release date:2009-11-03
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Structural and functional analysis of the globular head domain of p115 provides insight into membrane tethering.
J.Mol.Biol., 391, 2009
3QA0
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BU of 3qa0 by Molmil
Crystal structure of the apo-form of human CK2 alpha at pH 6.5
Descriptor: 1,2-ETHANEDIOL, Casein kinase II subunit alpha, SULFATE ION
Authors:Battistutta, R, Ranchio, A, Papinutto, E.
Deposit date:2011-01-10
Release date:2012-01-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional analysis of the flexible regions of the catalytic alpha-subunit of protein kinase CK2
To be Published
2OW7
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BU of 2ow7 by Molmil
Golgi alpha-mannosidase II complex with (1R,6S,7R,8S)-1-thioniabicyclo[4.3.0]nonan-7,8-diol chloride
Descriptor: (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
2P9M
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BU of 2p9m by Molmil
Crystal structure of conserved hypothetical protein MJ0922 from Methanocaldococcus jannaschii DSM 2661
Descriptor: Hypothetical protein MJ0922
Authors:Zhao, M, Ebihara, A, Shinkai, A, Kuramitsu, S, Yokoyama, S, Zhu, J, Swindell II, J.T, Chen, L, Fu, Z.-Q, Charz, J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG), RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2007-03-26
Release date:2007-07-03
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Crystal structure of conserved hypothetical protein MJ0922 from Methanocaldococcus jannaschii DSM 2661
To be Published
3GUE
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BU of 3gue by Molmil
Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
Descriptor: (2R,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL, GLYCEROL, SULFATE ION, ...
Authors:Wernimont, A.K, Marino, K, Lin, Y.H, Mackenzie, F, Kozieradzki, I, Cossar, D, Zhao, Y, Schapira, M, Bochkarev, A, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Hui, R, Amani, M, Structural Genomics Consortium (SGC)
Deposit date:2009-03-29
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Crystal Structure of UDP-glucose phosphorylase from Trypanosoma Brucei, (Tb10.389.0330)
To be Published

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