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3KS6
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BU of 3ks6 by Molmil
Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.80 A resolution
Descriptor: ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-11-20
Release date:2009-12-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (17743486) from AGROBACTERIUM TUMEFACIENS str. C58 (Dupont) at 1.80 A resolution
To be published
3KT6
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Crystal structure of S. cerevisiae tryptophanyl-tRNA synthetase in complex with Trp
Descriptor: SULFATE ION, TRYPTOPHAN, Tryptophanyl-tRNA synthetase, ...
Authors:Zhou, M, Dong, X, Zhong, C, Shen, N, Ding, J.
Deposit date:2009-11-24
Release date:2010-02-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of Saccharomyces cerevisiae tryptophanyl-tRNA synthetase: new insights into the mechanism of tryptophan activation and implications for anti-fungal drug design
Nucleic Acids Res., 38, 2010
3KU2
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Crystal Structure of inactivated form of CDPK1 from toxoplasma gondii, TGME49.101440
Descriptor: Calmodulin-domain protein kinase 1, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, UNKNOWN ATOM OR ION
Authors:Wernimont, A.K, Artz, J.D, Finnerty, P, Xiao, T, He, H, Mackenzie, F, Sinestera, G, Hassani, A.A, Wasney, G, Vedadi, M, Lourido, S, Bochkarev, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Sibley, D.L, Hui, R, Lin, Y.H, Structural Genomics Consortium (SGC)
Deposit date:2009-11-26
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of apicomplexan calcium-dependent protein kinases reveal mechanism of activation by calcium.
Nat.Struct.Mol.Biol., 17, 2010
3KSK
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BU of 3ksk by Molmil
Crystal Structure of single chain PvuII
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors:Meramveliotaki, C, Hountas, A, Eliopoulos, E, Kokkinidis, M.
Deposit date:2009-11-23
Release date:2010-04-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal Structure of single chain PvuII
To be Published
3KSV
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BU of 3ksv by Molmil
Hypothetical protein from Leishmania major
Descriptor: Uncharacterized protein, ZINC ION
Authors:Han, G.W, Merritt, E.A, Structural Genomics of Pathogenic Protozoa Consortium (SGPP)
Deposit date:2009-11-23
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hypothetical protein (HIT family) from Leishmania major
To be Published
3KT1
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Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Descriptor: FE (III) ION, GLYCEROL, PKHD-type hydroxylase TPA1, ...
Authors:Kim, H.S, Kim, H.L, Kim, K.H, Kim, D.J, Lee, S.J, Yoon, J.Y, Yoon, H.J, Lee, H.Y, Park, S.B, Kim, S.-J, Lee, J.Y, Suh, S.W.
Deposit date:2009-11-24
Release date:2010-01-19
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of Tpa1 from Saccharomyces cerevisiae, a component of the messenger ribonucleoprotein complex
Nucleic Acids Res., 38, 2010
3KUG
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BU of 3kug by Molmil
Crystal structure of E. coli HPPK(H115A)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-11-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KUE
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Crystal structure of E. coli HPPK(E77A)
Descriptor: 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, ACETATE ION, CHLORIDE ION
Authors:Blaszczyk, J, Li, Y, Yan, H, Ji, X.
Deposit date:2009-11-27
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.538 Å)
Cite:Roles of residues E77 and H115 in E. coli HPPK
To be Published
3KW2
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Crystal structure of probable rRNA-methyltransferase from Porphyromonas gingivalis
Descriptor: ADENOSINE, Probable r-RNA methyltransferase
Authors:Ramagopal, U.A, Toro, R, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2009-11-30
Release date:2010-01-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of probable rRNA-methyltransferase from Porphyromonas gingivalis
To be Published
3KWS
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BU of 3kws by Molmil
Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 A resolution
Descriptor: DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, Putative sugar isomerase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-01
Release date:2009-12-22
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structure of Putative sugar isomerase (YP_001305149.1) from Parabacteroides distasonis ATCC 8503 at 1.68 A resolution
To be published
3KXL
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BU of 3kxl by Molmil
crystal structure of SsGBP mutation variant G235S
Descriptor: GTP-binding protein (HflX), THIOCYANATE ION
Authors:Huang, B, Li, X, Zhang, X.C, Rao, Z.
Deposit date:2009-12-03
Release date:2010-05-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Functional study on GTP hydrolysis by the GTP binding protein from Sulfolobus solfataricus, a member of the HflX family.
J.Biochem., 2010
3KY9
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BU of 3ky9 by Molmil
Autoinhibited Vav1
Descriptor: Proto-oncogene vav, ZINC ION
Authors:Tomchick, D.R, Rosen, M.K, Machius, M, Yu, B.
Deposit date:2009-12-04
Release date:2010-02-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.731 Å)
Cite:Structural and Energetic Mechanisms of Cooperative Autoinhibition and Activation of Vav1
Cell(Cambridge,Mass.), 140, 2010
3KYR
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BU of 3kyr by Molmil
Bace-1 in complex with a norstatine type inhibitor
Descriptor: 3-[[(2S)-2-[[[(2S)-2-[[(2S)-2-[[(2S)-2-azanyl-3-(1H-1,2,3,4-tetrazol-5-ylcarbonylamino)propanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]methyl]-2-hydroxy-4-phenyl-butanoyl]amino]benzoic acid, Beta-secretase 1
Authors:Lindberg, J.D, Borkakoti, N, Derbyshire, D, Nystrom, S.
Deposit date:2009-12-07
Release date:2010-12-29
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Investigation of a-phenylnorstatine and a-benzylnorstatine as transition state isostere motifs in the search for new BACE-1 inhibiotrs
To be Published
3L04
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BU of 3l04 by Molmil
Crystal structure of N-acetyl-L-ornithine transcarbamylase E92P mutant complexed with carbamyl phosphate and N-succinyl-L-norvaline
Descriptor: N-(3-CARBOXYPROPANOYL)-L-NORVALINE, N-acetylornithine carbamoyltransferase, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER, ...
Authors:Shi, D, Yu, X, Allewell, N.M, Tuchman, M.
Deposit date:2009-12-09
Release date:2010-03-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A single mutation in the active site swaps the substrate specificity of N-acetyl-L-ornithine transcarbamylase and N-succinyl-L-ornithine transcarbamylase.
Protein Sci., 16, 2007
3L0H
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BU of 3l0h by Molmil
Crystal Structure Analysis of W21A mutant of human GSTA1-1 in complex with S-hexylglutathione
Descriptor: Glutathione S-transferase A1, S-HEXYLGLUTATHIONE
Authors:Fanucchi, S, Achilonu, I.A, Adamson, R.J, Fernandes, M.A, Burke, J.P, Dirr, H.W.
Deposit date:2009-12-10
Release date:2010-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Stability of the domain interface contributes towards the catalytic function at the H-site of class alpha glutathione transferase A1-1.
Biochim.Biophys.Acta, 1804, 2010
3L0W
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BU of 3l0w by Molmil
Structure of split monoubiquitinated PCNA with ubiquitin in position two
Descriptor: Monoubiquitinated Proliferating cell nuclear antigen, Proliferating cell nuclear antigen
Authors:Freudenthal, B.D, Gakhar, L, Ramaswamy, S, Washington, M.T.
Deposit date:2009-12-10
Release date:2010-03-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure of monoubiquitinated PCNA and implications for translesion synthesis and DNA polymerase exchange.
Nat.Struct.Mol.Biol., 17, 2010
3L13
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BU of 3l13 by Molmil
Crystal Structures of Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors
Descriptor: Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, [3-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)phenyl]methanol
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3L0U
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BU of 3l0u by Molmil
The crystal structure of unmodified tRNAPhe from Escherichia coli
Descriptor: MAGNESIUM ION, POTASSIUM ION, Unmodified tRNAPhe
Authors:Byrne, R.T, Konevega, A.L, Rodnina, M.V, Antson, A.A.
Deposit date:2009-12-10
Release date:2010-03-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3 Å)
Cite:The crystal structure of unmodified tRNAPhe from Escherichia coli
Nucleic Acids Res., 38, 2010
3L17
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Discovery of (thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer
Descriptor: 4-methyl-5-(6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl)pyrimidin-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Authors:Murray, J.M, Wiesmann, C.
Deposit date:2009-12-10
Release date:2010-02-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3 Å)
Cite:Discovery of (Thienopyrimidin-2-yl)aminopyrimidines as Potent, Selective, and Orally Available Pan-PI3-Kinase and Dual Pan-PI3-Kinase/mTOR Inhibitors for the Treatment of Cancer.
J.Med.Chem., 53, 2010
3L23
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BU of 3l23 by Molmil
Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
Descriptor: 1,2-ETHANEDIOL, MAGNESIUM ION, Sugar phosphate isomerase/epimerase
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2009-12-14
Release date:2010-02-16
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Crystal structure of Sugar phosphate isomerase/epimerase (YP_001303399.1) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution
To be published
3L3O
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BU of 3l3o by Molmil
Staphylococcal Complement Inhibitor (SCIN) in complex with Human Complement Component C3c
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C3, Staphylococcal complement inhibitor
Authors:Geisbrecht, B.V, Garcia, B.G.
Deposit date:2009-12-17
Release date:2010-08-04
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (3.405 Å)
Cite:Molecular Basis for Complement Recognition and Inhibition Determined by Crystallographic Studies of the Staphylococcal Complement Inhibitor (SCIN) Bound to C3c and C3b.
J.Mol.Biol., 402, 2010
3L4U
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Crystal complex of N-terminal Human Maltase-Glucoamylase with de-O-sulfonated kotalanol
Descriptor: (2R,3S,4S)-1-[(2S,3S,4R,5R,6S)-2,3,4,5,6,7-hexahydroxyheptyl]-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium (non-preferred name), 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
3L5A
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BU of 3l5a by Molmil
Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
Descriptor: NADH/flavin oxidoreductase/NADH oxidase, TRIETHYLENE GLYCOL
Authors:Lam, R, Gordon, R.D, Vodsedalek, J, Battaile, K.P, Grebemeskel, S, Lam, K, Romanov, V, Chan, T, Mihajlovic, V, Thompson, C.M, Guthrie, J, Pai, E.F, Chirgadze, N.Y.
Deposit date:2009-12-21
Release date:2010-12-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a probable NADH-dependent flavin oxidoreductase from Staphylococcus aureus
To be Published
3L59
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Structure of BACE Bound to SCH710413
Descriptor: (2Z)-3-(3-chlorobenzyl)-2-imino-5,5-dimethylimidazolidin-4-one, Beta-secretase 1, D(-)-TARTARIC ACID
Authors:Strickland, C, Zhu, Z.
Deposit date:2009-12-21
Release date:2010-02-16
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of Cyclic Acylguanidines as Highly Potent and Selective beta-Site Amyloid Cleaving Enzyme (BACE) Inhibitors: Part I-Inhibitor Design and Validation
J.Med.Chem., 53, 2010
3KL5
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Structure Analysis of a Xylanase From Glycosyl Hydrolase Family Thirty: Carbohydrate Ligand Complexes Reveal this Family of Enzymes Unique Mechanism of Substrate Specificity and Recognition
Descriptor: 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, Glucuronoxylanase xynC
Authors:St John, F.J, Hurlbert, J.C, Pozharski, E.
Deposit date:2009-11-06
Release date:2010-12-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Ligand bound structures of a glycosyl hydrolase family 30 glucuronoxylan xylanohydrolase.
J.Mol.Biol., 407, 2011

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