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2C23
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BU of 2c23 by Molmil
14-3-3 Protein Beta (Human) in complex with exoenzyme S peptide
Descriptor: 14-3-3 BETA/ALPHA, EXOENZYME S PEPTIDE
Authors:Elkins, J.M, Schoch, G.A, Yang, X, Sundstrom, M, Arrowsmith, C, Edwards, A, Doyle, D.A.
Deposit date:2005-09-26
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Basis for Protein-Protein Interactions in the 14-3-3 Protein Family.
Proc.Natl.Acad.Sci.USA, 103, 2006
8GYD
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Structure of Schistosoma japonicum Glutathione S-transferase bound with the ligand complex of 16
Descriptor: (2R)-2-[[2-(5-chloranylthiophen-2-yl)-4-oxidanylidene-6-[2-(1H-1,2,3,4-tetrazol-5-yl)phenyl]quinazolin-3-yl]methyl]-3-(4-chlorophenyl)propanoic acid, ETHANOL, Glutathione S-transferase class-mu 26 kDa isozyme
Authors:Wen, X, Jin, R, Hu, H, Zhu, J, Song, W, Lu, X.
Deposit date:2022-09-22
Release date:2023-08-23
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery, SAR Study of GST Inhibitors from a Novel Quinazolin-4(1 H )-one Focused DNA-Encoded Library.
J.Med.Chem., 66, 2023
1HLC
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X-RAY CRYSTAL STRUCTURE OF THE HUMAN DIMERIC S-LAC LECTIN, L-14-II, IN COMPLEX WITH LACTOSE AT 2.9 ANGSTROMS RESOLUTION
Descriptor: HUMAN LECTIN, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Lobsanov, Y.D, Gitt, M.A, Leffler, H, Barondes, S, Rini, J.M.
Deposit date:1993-10-13
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:X-ray crystal structure of the human dimeric S-Lac lectin, L-14-II, in complex with lactose at 2.9-A resolution.
J.Biol.Chem., 268, 1993
2BWW
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BU of 2bww by Molmil
His350Ala Escherichia coli Aminopeptidase P
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, AMINOPEPTIDASE P, CITRATE ANION, ...
Authors:Graham, S.C, Guss, J.M.
Deposit date:2005-07-19
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
1HJV
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Crystal structure of hcgp-39 in complex with chitin tetramer
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Houston, D.R, Recklies, A.D, Krupa, J.C, Van Aalten, D.M.F.
Deposit date:2003-02-28
Release date:2003-03-11
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Structure and Ligand-Induced Conformational Change of the 39-kDa Glycoprotein from Human Articular Chondrocytes.
J.Biol.Chem., 278, 2003
1HM7
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N219L PENTALENENE SYNTHASE
Descriptor: PENTALENENE SYNTHASE
Authors:Seemann, M, Paschall, C.M, Christianson, D.W, Cane, D.E.
Deposit date:2000-12-05
Release date:2002-08-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Pentalenene synthase. Analysis of active site residues by site-directed mutagenesis.
J.Am.Chem.Soc., 124, 2002
1HOZ
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CRYSTAL STRUCTURE OF AN INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE FROM TRYPANOSOMA VIVAX
Descriptor: CALCIUM ION, GLYCEROL, INOSINE-ADENOSINE-GUANOSINE-PREFERRING NUCLEOSIDE HYDROLASE
Authors:Versees, W, Decanniere, K, Pelle, R, Depoorter, J, Parkin, D.W, Steyaert, J.
Deposit date:2000-12-12
Release date:2001-12-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and function of a novel purine specific nucleoside hydrolase from Trypanosoma vivax.
J.Mol.Biol., 307, 2001
8H8O
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Crystal structure of apo-R52W/E56W/R59W/E63W-rHLFr
Descriptor: 1,2-ETHANEDIOL, CADMIUM ION, CHLORIDE ION, ...
Authors:Hishikawa, Y, Noya, H, Maity, B, Abe, S, Ueno, T.
Deposit date:2022-10-23
Release date:2023-10-04
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Elucidating Conformational Dynamics and Thermostability of Designed Aromatic Clusters by Using Protein Cages.
Chemistry, 29, 2023
8H5K
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BU of 8h5k by Molmil
Crystal structure of PETase N37D/S121E/R132E/A171C/A180V/P181V/D186H/S193C/R224E/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
2BOB
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BU of 2bob by Molmil
Potassium channel KcsA-Fab complex in thallium with tetrabutylammonium (TBA)
Descriptor: ANTIBODY FAB FRAGMENT HEAVY CHAIN, ANTIBODY FAB FRAGMENT LIGHT CHAIN, COBALT (II) ION, ...
Authors:Lenaeus, M.J, Vamvouka, M, Focia, P.J, Gross, A.
Deposit date:2005-04-09
Release date:2005-04-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Basis of Tea Blockade in a Model Potassium Channel
Nat.Struct.Mol.Biol., 12, 2005
2BWT
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BU of 2bwt by Molmil
Asp260Ala Escherichia coli Aminopeptidase P
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CITRATE ANION, MAGNESIUM ION, ...
Authors:Graham, S.C, Guss, J.M.
Deposit date:2005-07-19
Release date:2006-01-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Kinetic and Crystallographic Analysis of Mutant Escherichia Coli Aminopeptidase P: Insights Into Substrate Recognition and the Mechanism of Catalysis.
Biochemistry, 45, 2006
1HQV
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BU of 1hqv by Molmil
STRUCTURE OF APOPTOSIS-LINKED PROTEIN ALG-2
Descriptor: CALCIUM ION, PROGRAMMED CELL DEATH PROTEIN 6
Authors:Jia, J, Tarabykina, S, Hansen, C, Berchtold, M, Cygler, M.
Deposit date:2000-12-19
Release date:2001-05-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of apoptosis-linked protein ALG-2: insights into Ca2+-induced changes in penta-EF-hand proteins.
Structure, 9, 2001
1HM4
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BU of 1hm4 by Molmil
N219L PENTALENENE SYNTHASE
Descriptor: PENTALENENE SYNTHASE
Authors:Seemann, M, Paschall, C.M, Christianson, D.W, Cane, D.E.
Deposit date:2000-12-04
Release date:2002-08-30
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (3.47 Å)
Cite:Pentalenene synthase. Analysis of active site residues by site-directed mutagenesis.
J.Am.Chem.Soc., 124, 2002
1HUH
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BU of 1huh by Molmil
DIFFERENCES IN ANIONIC INHIBITION OF HUMAN CARBONIC ANHYDRASE I REVEALED FROM THE STRUCTURES OF IODIDE AND GOLD CYANIDE INHIBITOR COMPLEXES
Descriptor: CARBONIC ANHYDRASE I, IODIDE ION, ZINC ION
Authors:Kumar, V, Kannan, K.K.
Deposit date:1993-10-28
Release date:1994-04-30
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Differences in anionic inhibition of human carbonic anhydrase I revealed from the structures of iodide and gold cyanide inhibitor complexes.
Acta Crystallogr.,Sect.D, 50, 1994
2BI7
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BU of 2bi7 by Molmil
udp-galactopyranose mutase from Klebsiella pneumoniae oxidised FAD
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, UDP-GALACTOPYRANOSE MUTASE
Authors:Beis, K, Srikannathasan, V, Naismith, J.
Deposit date:2005-01-20
Release date:2005-05-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Mycobacteria Tuberculosis and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the Oxidised State and Klebsiella Pneumoniae Udp-Galactopyranose Mutase in the (Active) Reduced State.
J.Mol.Biol., 348, 2005
2BH3
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BU of 2bh3 by Molmil
Zn substituted E. coli Aminopeptidase P in complex with product
Descriptor: CITRATE ANION, LEUCINE, MAGNESIUM ION, ...
Authors:Graham, S.C, Bond, C.S, Freeman, H.C, Guss, J.M.
Deposit date:2005-01-07
Release date:2005-09-29
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and Functional Implications of Metal Ion Selection in Aminopeptidase P, a Metalloprotease with a Dinuclear Metal Center.
Biochemistry, 44, 2005
8H4R
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BU of 8h4r by Molmil
The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]-1-hydroxypyridinium, G1/S-specific cyclin-E1, ...
Authors:Gui, W, Wang, F, Cheng, W, Gao, J, Huang, Y, Ouyang, Z.
Deposit date:2022-10-11
Release date:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:The Crystal Structure of CDK3 and CyclinE1 Complex with Dinaciclib from Biortus
To Be Published
1KC1
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BU of 1kc1 by Molmil
Crystal structure of dTDP-6-deoxy-L-lyxo-4-hexulose reductase (RmlD) in complex with NADPH
Descriptor: MAGNESIUM ION, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Blankenfeldt, W, Kerr, I.D, Giraud, M.F, McMiken, H.J, Leonard, G.A, Whitfield, C, Messner, P, Graninger, M, Naismith, J.H.
Deposit date:2001-11-07
Release date:2002-06-28
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Variation on a theme of SDR. dTDP-6-deoxy-L- lyxo-4-hexulose reductase (RmlD) shows a new Mg2+-dependent dimerization mode.
Structure, 10, 2002
2C12
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BU of 2c12 by Molmil
Crystal Structure of Nitroalkane Oxidase in Complex with Spermine, a Competitive Inhibitor
Descriptor: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
Authors:Nagpal, A, Valley, M.P, Fitzpatrick, P.F, Orville, A.M.
Deposit date:2005-09-10
Release date:2006-02-01
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:Crystal Structures of Nitroalkane Oxidase: Insights Into the Reaction Mechanism from a Covalent Complex of the Flavoenzyme Trapped During Turnover.
Biochemistry, 45, 2006
8H5O
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BU of 8h5o by Molmil
Crystal structure of PETase S121E/P181V/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
8GZN
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BU of 8gzn by Molmil
IgM-var2CSA complex
Descriptor: Erythrocyte membrane protein 1, Immunoglobulin J chain, Immunoglobulin heavy constant mu
Authors:Akhouri, R.R, Goel, S, Skoglund, U.
Deposit date:2022-09-27
Release date:2023-10-25
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-electron microscopy of IgM-VAR2CSA complex reveals IgM inhibits binding of Plasmodium falciparum to Chondroitin Sulfate A.
Nat Commun, 14, 2023
8H5J
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BU of 8h5j by Molmil
Crystal structure of PETase S121E/A180V/P181V/D186H/N233C/S242T/N246D/S282C mutant from Ideonella sakaiensis
Descriptor: GLYCEROL, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
1K9Q
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BU of 1k9q by Molmil
YAP65 WW domain complexed to N-(n-octyl)-GPPPY-NH2
Descriptor: 65 kDa Yes-associated protein, N-OCTANE, WW domain binding protein-1
Authors:Pires, J.R, Taha-Nejad, F, Toepert, F, Ast, T, Hoffmuller, U, Schneider-Mergener, J, Kuhne, R, Macias, M.J, Oschkinat, H.
Deposit date:2001-10-30
Release date:2001-12-28
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Solution structures of the YAP65 WW domain and the variant L30 K in complex with the peptides GTPPPPYTVG, N-(n-octyl)-GPPPY and PLPPY and the application of peptide libraries reveal a minimal binding epitope.
J.Mol.Biol., 314, 2001
8H5L
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Crystal structure of PETase N37D/S121E/R132E/A171C/A180V/P181V/D186H/S193C/A202C/V211C/S214Y/R224E/N233C/S242T/N246D/N275C/S282C/F284C mutant from Ideonella sakaiensis
Descriptor: IODIDE ION, POTASSIUM ION, Poly(ethylene terephthalate) hydrolase
Authors:Lee, S.H, Seo, H, Kim, K.-J.
Deposit date:2022-10-13
Release date:2023-10-25
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:A case of balance engineering exhibits kinetic relationship between mesophilic and thermophilic poly(ethylene terephthalate) depolymerases.
To Be Published
1K56
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BU of 1k56 by Molmil
OXA 10 class D beta-lactamase at pH 6.5
Descriptor: OXA10 beta-lactamase, SULFATE ION
Authors:Golemi, D, Maveyraud, L, Vakulenko, S, Samama, J.P, Mobashery, S.
Deposit date:2001-10-10
Release date:2001-11-07
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Critical involvement of a carbamylated lysine in catalytic function of class D beta-lactamases.
Proc.Natl.Acad.Sci.USA, 98, 2001

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