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4IH5
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BU of 4ih5 by Molmil
Hepatitis C Virus polymerase NS5B (BK) with fragment-based compounds
Descriptor: 4-(2-phenylhydrazinyl)-1H-pyrazolo[3,4-d]pyrimidine, RNA-directed RNA polymerase
Authors:Harris, S.F, Ghate, M.
Deposit date:2012-12-18
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.
J.Med.Chem., 56, 2013
4LFK
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BU of 4lfk by Molmil
Crystal Structure of D-galactose-6-phosphate isomerase in a substrate-free form
Descriptor: Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B
Authors:Jung, W.S, Pan, C.H.
Deposit date:2013-06-27
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates.
Plos One, 8, 2013
3F1L
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BU of 3f1l by Molmil
The 0.95 A structure of an oxidoreductase, yciK from E.coli
Descriptor: Uncharacterized oxidoreductase yciK
Authors:Vijayalakshmi, J, Woodard, R.W.
Deposit date:2008-10-28
Release date:2008-11-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Structure of an oxidoreductase, yciK from E. coli, in two crystal forms - NADP+ unbound structure at 0.95 A resolution
to be published
4IH1
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BU of 4ih1 by Molmil
Crystal structure of Karrikin Insensitive 2 (KAI2) from Arabidopsis thaliana
Descriptor: Hydrolase, alpha/beta fold family protein
Authors:Zhou, X.E, Zhao, L.-H, Wu, Z.-S, Yi, W, Li, S, Li, Y, Xu, Y, Xu, T.-H, Liu, Y, Chen, R.-Z, Kovach, A, Kang, Y, Hou, L, He, Y, Zhang, C, Melcher, K, Xu, H.E.
Deposit date:2012-12-18
Release date:2013-01-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structures of two phytohormone signal-transducing alpha / beta hydrolases: karrikin-signaling KAI2 and strigolactone-signaling DWARF14.
Cell Res., 23, 2013
3NT3
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BU of 3nt3 by Molmil
CRYSTAL STRUCTURE OF LSSmKate2 red fluorescent proteins with large Stokes shift
Descriptor: GLYCEROL, LSSmKate2 red fluorescent protein
Authors:Malashkevich, V.N, Piatkevich, K, Almo, S.C, Verkhusha, V.
Deposit date:2010-07-02
Release date:2010-08-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Engineering ESPT Pathways Based on Structural Analysis of LSSmKate Red Fluorescent Proteins with Large Stokes Shift.
J.Am.Chem.Soc., 132, 2010
4LGB
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BU of 4lgb by Molmil
ABA-mimicking ligand N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE in complex with ABA receptor PYL2 and PP2C HAB1
Descriptor: Abscisic acid receptor PYL2, MAGNESIUM ION, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Zhou, X.E, Gao, M, Liu, X, Zhang, Y, Xue, X, Melcher, K, Gao, P, Wang, F, Zeng, L, Zhao, Y, Zhao, Y, Deng, P, Zhong, D, Zhu, J.-K, Xu, Y, Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
3F4W
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BU of 3f4w by Molmil
The 1.65A Crystal Structure of 3-hexulose-6-phosphate synthase from Salmonella typhimurium
Descriptor: MALONATE ION, Putative hexulose 6 phosphate synthase
Authors:Vijayalakshmi, J, Woodard, R.W.
Deposit date:2008-11-03
Release date:2008-11-25
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:The 1.65A Crystal Structure of 3-hexulose-6-phosphate synthase from Salmonella typhimurium
To be Published
3NSG
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BU of 3nsg by Molmil
Crystal Structure of OmpF, an Outer Membrane Protein from Salmonella typhi
Descriptor: CITRATE ANION, GLYCEROL, L(+)-TARTARIC ACID, ...
Authors:Balasubramaniam, D, Arockiasamy, A, Sharma, A, Krishnaswamy, S.
Deposit date:2010-07-01
Release date:2011-07-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Asymmetric pore occupancy in crystal structure of OmpF porin from Salmonella typhi
J.Struct.Biol., 178, 2012
4IIR
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BU of 4iir by Molmil
Crystal Structure of AMPPNP-bound Human PRPF4B kinase domain
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, SULFATE ION, ...
Authors:Mechin, I, Haas, K, Chen, X, Zhang, Y, McLean, L.
Deposit date:2012-12-20
Release date:2013-08-28
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Evaluation of Cancer Dependence and Druggability of PRP4 Kinase Using Cellular, Biochemical, and Structural Approaches.
J.Biol.Chem., 288, 2013
3FK9
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BU of 3fk9 by Molmil
Crystal structure of mMutator MutT protein from Bacillus halodurans
Descriptor: Mutator MutT protein
Authors:Bonanno, J.B, Freeman, J, Bain, K.T, Hu, 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:2008-12-16
Release date:2009-01-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of mMutator MutT protein from Bacillus halodurans
To be Published
4LKS
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BU of 4lks by Molmil
Structure of CBM32-3 from a family 31 glycoside hydrolase from Clostridium perfringens in complex with galactose
Descriptor: CALCIUM ION, Glycosyl hydrolase, family 31/fibronectin type III domain protein, ...
Authors:Grondin, J.M, Duan, D, Kirlin, A.C, Furness, H.S, Allingham, J.S, Smith, S.P.
Deposit date:2013-07-08
Release date:2014-12-24
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Diverse modes of galacto-specific carbohydrate recognition by a family 31 glycoside hydrolase from Clostridium perfringens.
Plos One, 12, 2017
5MMT
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BU of 5mmt by Molmil
Inward open PepTSt from Streptococcus thermophilus crystallized in space group P3121
Descriptor: Di-or tripeptide:H+ symporter
Authors:Quistgaard, E.M, Molledo, M.M, Nordlund, P, Loew, C.
Deposit date:2016-12-12
Release date:2017-01-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Structure determination of a major facilitator peptide transporter: Inward facing PepTSt from Streptococcus thermophilus crystallized in space group P3121.
PLoS ONE, 12, 2017
3FAV
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BU of 3fav by Molmil
Structure of the CFP10-ESAT6 complex from Mycobacterium tuberculosis
Descriptor: 6 kDa early secretory antigenic target, ESAT-6-like protein esxB, IMIDAZOLE, ...
Authors:Poulsen, C, Holton, S.J, Wilmanns, M, Song, Y.H.
Deposit date:2008-11-18
Release date:2009-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:WXG100 protein superfamily consists of three subfamilies and exhibits an alpha-helical C-terminal conserved residue pattern.
Plos One, 9, 2014
3NUS
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BU of 3nus by Molmil
phosphoinositide-dependent kinase-1 (PDK1) with fragment8
Descriptor: 1H-indazol-3-amine, GLYCEROL, SULFATE ION, ...
Authors:Campobasso, N, Ward, P.
Deposit date:2010-07-07
Release date:2011-05-25
Last modified:2018-10-10
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Aminoindazole PDK1 Inhibitors: A Case Study in Fragment-Based Drug Discovery.
ACS Med Chem Lett, 1, 2010
3FBT
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BU of 3fbt by Molmil
Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum
Descriptor: SULFATE ION, chorismate mutase and shikimate 5-dehydrogenase fusion protein
Authors:Bonanno, J.B, Gilmore, M, Bain, K.T, Hu, 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:2008-11-19
Release date:2008-12-09
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a chorismate mutase/shikimate 5-dehydrogenase fusion protein from Clostridium acetobutylicum
To be Published
4IDE
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BU of 4ide by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in complex with NADP+ and EDHMF
Descriptor: (2E)-2-ethylidene-4-hydroxy-5-methylfuran-3(2H)-one, 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Schiefner, A, Skerra, A.
Deposit date:2012-12-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
3FN4
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BU of 3fn4 by Molmil
Apo-form of NAD-dependent formate dehydrogenase from bacterium Moraxella sp.C-1 in closed conformation
Descriptor: GLYCEROL, NAD-dependent formate dehydrogenase, SULFATE ION
Authors:Shabalin, I.G, Polyakov, K.M, Filippova, E.V, Dorovatovskiy, P.V, Tikhonova, T.V, Sadykhov, E.G, Tishkov, V.I, Popov, V.O.
Deposit date:2008-12-23
Release date:2009-12-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of the apo and holo forms of formate dehydrogenase from the bacterium Moraxella sp. C-1: towards understanding the mechanism of the closure of the interdomain cleft
Acta Crystallogr.,Sect.D, 65, 2009
4IN7
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BU of 4in7 by Molmil
(M)L214N mutant of the Rhodobacter sphaeroides Reaction Center
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, BACTERIOCHLOROPHYLL A, BACTERIOPHEOPHYTIN A, ...
Authors:Saer, R.G, Hardjasa, A, Murphy, M.E.P, Beatty, J.T.
Deposit date:2013-01-04
Release date:2013-06-05
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Role of Rhodobacter sphaeroides photosynthetic reaction center residue M214 in the composition, absorbance properties, and conformations of H(A) and B(A) cofactors.
Biochemistry, 52, 2013
4IDA
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BU of 4ida by Molmil
Structure of the Fragaria x ananassa enone oxidoreductase in its apo form
Descriptor: 1,2-ETHANEDIOL, Ripening-induced protein, SULFATE ION
Authors:Schiefner, A, Skerra, A.
Deposit date:2012-12-12
Release date:2013-04-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural basis for the enzymatic formation of the key strawberry flavor compound 4-hydroxy-2,5-dimethyl-3(2H)-furanone
J.Biol.Chem., 288, 2013
4LFL
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BU of 4lfl by Molmil
Crystal Structure of D-galactose-6-phosphate isomerase in complex with D-tagatose-6-phosphate
Descriptor: 6-O-phosphono-D-tagatose, Galactose-6-phosphate isomerase subunit A, Galactose-6-phosphate isomerase subunit B
Authors:Jung, W.S, Pan, C.H.
Deposit date:2013-06-27
Release date:2013-11-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure and substrate specificity of D-galactose-6-phosphate isomerase complexed with substrates.
Plos One, 8, 2013
3NWH
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BU of 3nwh by Molmil
Crystal structure of BST2/Tetherin
Descriptor: Bone marrow stromal antigen 2
Authors:Schubert, H.L, Zhai, Q, Hill, C.P.
Deposit date:2010-07-09
Release date:2010-07-21
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional studies on the extracellular domain of BST2/tetherin in reduced and oxidized conformations.
Proc.Natl.Acad.Sci.USA, 107, 2010
3FDW
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BU of 3fdw by Molmil
Crystal structure of a C2 domain from human synaptotagmin-like protein 4
Descriptor: Synaptotagmin-like protein 4
Authors:Bonanno, J.B, Rutter, M, 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:2008-11-26
Release date:2008-12-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of a C2 domain from human synaptotagmin-like protein 4
To be Published
3O7V
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BU of 3o7v by Molmil
Crystal Structure of human Hiwi1 (V361M) PAZ domain (residues 277-399) in complex with 14-mer RNA (12-bp + 2-nt overhang) containing 2'-OCH3 at its 3'-end
Descriptor: Piwi-like protein 1, RNA (5'-R(*GP*CP*GP*AP*AP*UP*AP*UP*UP*CP*GP*CP*UP*(OMU))-3')
Authors:Tian, Y, Simanshu, D.K, Ma, J.-B, Patel, D.J.
Deposit date:2010-08-01
Release date:2011-01-12
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inaugural Article: Structural basis for piRNA 2'-O-methylated 3'-end recognition by Piwi PAZ (Piwi/Argonaute/Zwille) domains.
Proc.Natl.Acad.Sci.USA, 108, 2011
4LFS
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BU of 4lfs by Molmil
High resolution x-ray structure of racemic ShK toxin
Descriptor: CHLORIDE ION, GLYCEROL, Potassium channel toxin ShK
Authors:Dang, B, Kubota, T, Mandal, K, Bezanilla, F, Kent, S.B.H.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (0.97 Å)
Cite:Native Chemical Ligation at Asx-Cys, Glx-Cys: Chemical Synthesis and High-Resolution X-ray Structure of ShK Toxin by Racemic Protein Crystallography.
J.Am.Chem.Soc., 135, 2013
3EWD
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BU of 3ewd by Molmil
Crystal structure of adenosine deaminase mutant (delta Asp172) from Plasmodium vivax in complex with MT-coformycin
Descriptor: (8R)-3-(5-S-methyl-5-thio-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol, Adenosine deaminase, ZINC ION
Authors:Schramm, V.L, Almo, S.C, Cassera, M.B, Ho, M.C.
Deposit date:2008-10-14
Release date:2009-09-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and metabolic specificity of methylthiocoformycin for malarial adenosine deaminases.
Biochemistry, 48, 2009

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数据于2024-07-17公开中

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