4A0S
 
 | | STRUCTURE OF THE 2-OCTENOYL-COA CARBOXYLASE REDUCTASE CINF IN COMPLEX WITH NADP AND 2-OCTENOYL-COA | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OCTANOYL-COENZYME A, OCTENOYL-COA REDUCTASE/CARBOXYLASE | | Authors: | Quade, N, Huo, L, Rachid, S, Heinz, D.W, Muller, R. | | Deposit date: | 2011-09-12 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unusual carbon fixation gives rise to diverse polyketide extender units.
Nat. Chem. Biol., 8, 2011
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1YUB
 | | SOLUTION STRUCTURE OF AN RRNA METHYLTRANSFERASE (ERMAM) THAT CONFERS MACROLIDE-LINCOSAMIDE-STREPTOGRAMIN ANTIBIOTIC RESISTANCE, NMR, MINIMIZED AVERAGE STRUCTURE | | Descriptor: | RRNA METHYLTRANSFERASE | | Authors: | Yu, L, Petros, A.M, Schnuchel, A, Zhong, P, Severin, J.M, Walter, K, Holzman, T.F, Fesik, S.W. | | Deposit date: | 1997-03-04 | | Release date: | 1998-03-04 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of an rRNA methyltransferase (ErmAM) that confers macrolide-lincosamide-streptogramin antibiotic resistance.
Nat.Struct.Biol., 4, 1997
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3WMB
 | | Crystal structure of insect beta-N-acetyl-D-hexosaminidase OfHex1 complexed with naphthalimide derivative Q1 | | Descriptor: | 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase | | Authors: | Liu, T, Zhou, Y, Chen, L, Yang, Q. | | Deposit date: | 2013-11-16 | | Release date: | 2014-11-05 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | A crystal structure-guided rational design switching non-carbohydrate inhibitors' specificity between two beta-GlcNAcase homologs
Sci Rep, 4, 2014
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3WQL
 | | Crystal structure of Rv3378c with Mg2+ and PPi | | Descriptor: | Diterpene synthase, MAGNESIUM ION | | Authors: | Chan, H.C, Feng, X, Ko, T.P, Huang, C.H, Hu, Y, Zheng, Y, Bogue, S, Nakano, C, Hoshino, T, Zhang, L, Lv, P, Liu, W, Crick, D.C, Liang, P.H, Wang, A.H, Oldfield, E, Guo, R.T. | | Deposit date: | 2014-01-28 | | Release date: | 2014-02-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure and inhibition of tuberculosinol synthase and decaprenyl diphosphate synthase from Mycobacterium tuberculosis.
J.Am.Chem.Soc., 136, 2014
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4CC7
 | | Crystal structure of the sixth or C-terminal SH3 domain of human Tuba in complex with proline-rich peptides of N-WASP. Space group P41 | | Descriptor: | CHLORIDE ION, DYNAMIN-BINDING PROTEIN, GLYCEROL, ... | | Authors: | Polle, L, Rigano, L, Julian, R, Ireton, K, Schubert, W.-D. | | Deposit date: | 2013-10-18 | | Release date: | 2013-10-30 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural Details of Human Tuba Recruitment by Inlc of Listeria Monocytogenes Elucidate Bacterial Cell-Cell Spreading.
Structure, 22, 2014
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4AJM
 | | Development of a plate-based optical biosensor methodology to identify PDE10 fragment inhibitors | | Descriptor: | 3-AMINO-6-FLUORO-2-[4-(2-METHYLPYRIDIN-4-YL)PHENYL]-N-(METHYLSULFONYL)QUINOLINE-4-CARBOXAMIDE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Geschwindner, S, Johansson, P, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Albert, J.S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Development of a Plate-Based Optical Biosensor Methodology to Identify Pde10 Fragment Inhibitors
To be Published
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4AKV
 | | Crystal structure of human sorting nexin 33 (SNX33) | | Descriptor: | SORTING NEXIN-33, SULFATE ION | | Authors: | Oberholzer, A, Froese, D.S, Krojer, T, Shrestha, L, Filippakopoulos, P, Muniz, J.R.C, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Yue, W.W. | | Deposit date: | 2012-02-29 | | Release date: | 2012-08-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Structure of Human Sorting Nexin 33
To be Published
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1XXS
 | | Structural insights for fatty acid binding in a Lys49 phospholipase A2: crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid | | Descriptor: | Phospholipase A2 homolog 2, STEARIC ACID, SULFATE ION | | Authors: | Watanabe, L, Soares, A.M, Ward, R.J, Fontes, M.R, Arni, R.K. | | Deposit date: | 2004-11-08 | | Release date: | 2005-03-29 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural insights for fatty acid binding in a Lys49-phospholipase A(2): crystal structure of myotoxin II from Bothrops moojeni complexed with stearic acid
Biochimie, 87, 2005
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4A4Q
 | | Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors | | Descriptor: | PROTEASE, methyl [(2S)-1-{2-(2-{(3R,4S)-3-benzyl-4-hydroxy-1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxopyrrolidin-3-yl}ethyl)-2-[4-(pyridin-4-yl)benzyl]hydrazinyl}-3,3-dimethyl-1-oxobutan-2-yl]carbamate | | Authors: | Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B, Unge, J, Larhed, M. | | Deposit date: | 2011-10-19 | | Release date: | 2012-11-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
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4A1F
 | | Crystal structure of C-terminal domain of Helicobacter pylori DnaB Helicase | | Descriptor: | CITRATE ANION, REPLICATIVE DNA HELICASE | | Authors: | Stelter, M, Kapp, U, Timmins, J, Terradot, L. | | Deposit date: | 2011-09-14 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Architecture of a Dodecameric Bacterial Replicative Helicase.
Structure, 20, 2012
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4AN9
 | | Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs. | | Descriptor: | DUAL SPECIFICITY MITOGEN-ACTIVATED PROTEIN KINASE KINASE 1, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ... | | Authors: | Rice, K.D, Aay, N, Anand, N.K, Blazey, C.M, Bowles, O.J, Bussenius, J, Costanzo, S, Curtis, J.K, Defina, S.C, Dubenko, L, Engst, S, Joshi, A.A, Kennedy, A.R, Kim, A.I, Koltun, E.S, Lougheed, J.C, Manalo, J.C.L, Martini, J.F, Nuss, J.M, Peto, C.J, Tsang, T.H, Yu, P, Johnston, S. | | Deposit date: | 2012-03-16 | | Release date: | 2012-12-19 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)
Acs Med.Chem.Lett., 3, 2012
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4AJD
 | | Identification and structural characterization of PDE10 fragment inhibitors | | Descriptor: | 2-ETHYL-4-METHYL-PHTHALAZIN-1-ONE, CAMP AND CAMP-INHIBITED CGMP 3', 5'-CYCLIC PHOSPHODIESTERASE 10A, ... | | Authors: | Johansson, P, Albert, J.S, Spadola, L, Akerud, T, Back, E, Hillertz, P, Horsefeld, R, Scott, C, Spear, N, Tian, G, Tigerstrom, A, Aharony, D, Geschwindner, S. | | Deposit date: | 2012-02-16 | | Release date: | 2013-03-06 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification and Structural Characterization of Pde10 Fragment Inhibitors
To be Published
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4AK5
 | | Native crystal structure of BpGH117 | | Descriptor: | 1,2-ETHANEDIOL, ANHYDRO-ALPHA-L-GALACTOSIDASE, CHLORIDE ION, ... | | Authors: | Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2012-02-21 | | Release date: | 2012-03-14 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
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4AK6
 | | BpGH117_H302E mutant glycoside hydrolase | | Descriptor: | ANHYDRO-ALPHA-L-GALACTOSIDASE, MAGNESIUM ION | | Authors: | Hehemann, J.H, Smyth, L, Yadav, A, Vocadlo, D.J, Boraston, A.B. | | Deposit date: | 2012-02-21 | | Release date: | 2012-03-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Analysis of Keystone Enzyme in Agar Hydrolysis Provides Insight Into the Degradation (of a Polysaccharide from) Red Seaweeds.
J.Biol.Chem., 287, 2012
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3WWD
 | | The complex of pOPH_S172C with DMSO | | Descriptor: | CITRIC ACID, DIMETHYL SULFOXIDE, Oxidized polyvinyl alcohol hydrolase | | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chen, J, Guo, R.T, Du, G.C. | | Deposit date: | 2014-06-17 | | Release date: | 2015-04-29 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Biochem.Biophys.Res.Commun., 452, 2014
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1G0I
 | | CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, INOSITOL MONOPHOSPHATASE, MANGANESE (II) ION, ... | | Authors: | Johnson, K.A, Chen, L, Yang, H, Roberts, M.F, Stec, B. | | Deposit date: | 2000-10-06 | | Release date: | 2001-03-14 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal structure and catalytic mechanism of the MJ0109 gene product: a bifunctional enzyme with inositol monophosphatase and fructose 1,6-bisphosphatase activities.
Biochemistry, 40, 2001
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1XOC
 | | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide. | | Descriptor: | Nonapeptide VDSKNTSSW, Oligopeptide-binding protein appA, ZINC ION | | Authors: | Levdikov, V.M, Blagova, E.V, Brannigan, J.A, Wright, L, Vagin, A.A, Wilkinson, A.J. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-25 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The structure of the oligopeptide-binding protein, AppA, from Bacillus subtilis in complex with a nonapeptide.
J.Mol.Biol., 345, 2005
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5DHT
 | | Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor | | Descriptor: | 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine, CITRIC ACID, GLYCEROL, ... | | Authors: | Gelin, M, Paoletti, J, Assairi, L, Huteau, V, Pochet, S, Labesse, G. | | Deposit date: | 2015-08-31 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode.
Eur.J.Med.Chem., 124, 2016
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5DAT
 | | Complex of yeast 80S ribosome with hypusine-containing eIF5A | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M. | | Deposit date: | 2015-08-20 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome
To Be Published
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1G2B
 | | ALPHA-SPECTRIN SRC HOMOLOGY 3 DOMAIN, CIRCULAR PERMUTANT, CUT AT N47-D48 | | Descriptor: | SPECTRIN ALPHA CHAIN, SULFATE ION | | Authors: | Berisio, R, Viguera, A.R, Serrano, L, Wilmanns, M. | | Deposit date: | 2000-10-18 | | Release date: | 2000-11-01 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.12 Å) | | Cite: | Atomic resolution structure of a mutant of the spectrin SH3 domain.
Acta Crystallogr.,Sect.D, 57, 2001
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4AYW
 | | STRUCTURE OF THE HUMAN MITOCHONDRIAL ABC TRANSPORTER, ABCB10 (PLATE FORM) | | Descriptor: | ATP-BINDING CASSETTE SUB-FAMILY B MEMBER 10, CHOLESTEROL HEMISUCCINATE, DODECYL-BETA-D-MALTOSIDE, ... | | Authors: | Pike, A.C.W, Shintre, C.A, Li, Q, Kim, J, von Delft, F, Barr, A.J, Das, S, Chaikuad, A, Xia, X, Quigley, A, Dong, Y, Dong, L, Krojer, T, Vollmar, M, Muniz, J.R.C, Bray, J.E, Berridge, G, Chalk, R, Gileadi, O, Burgess-Brown, N, Shrestha, L, Goubin, S, Yang, J, Mahajan, P, Mukhopadhyay, S, Bullock, A.N, Arrowsmith, C.H, Weigelt, J, Bountra, C, Edwards, A.M, Carpenter, E.P. | | Deposit date: | 2012-06-22 | | Release date: | 2012-07-11 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Structures of Abcb10, a Human ATP-Binding Cassette Transporter in Apo- and Nucleotide-Bound States
Proc.Natl.Acad.Sci.USA, 110, 2013
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3WWC
 | | The complex of pOPH_S172A of pNPB | | Descriptor: | CITRIC ACID, Oxidized polyvinyl alcohol hydrolase, butanoic acid | | Authors: | Yang, Y, Ko, T.P, Li, J.H, Liu, L, Huang, C.H, Chen, J, Guo, R.T, Du, G.C. | | Deposit date: | 2014-06-17 | | Release date: | 2015-04-29 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Roles of tryptophan residue and disulfide bond in the variable lid region of oxidized polyvinyl alcohol hydrolase
Biochem.Biophys.Res.Commun., 452, 2014
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223D
 | | DIRECT OBSERVATION OF TWO BASE-PAIRING MODES OF A CYTOSINE-THYMINE ANALOGUE WITH GUANINE IN A DNA Z-FORM DUPLEX: SIGNIFICANCE FOR BASE ANALOGUE MUTAGENESIS | | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*(C46)P*G)-3') | | Authors: | Moore, M.H, Van Meervelt, L, Salisbury, S.A, Kong Thoo Lin, P, Brown, D.M. | | Deposit date: | 1995-08-01 | | Release date: | 1995-12-09 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Direct observation of two base-pairing modes of a cytosine-thymine analogue with guanine in a DNA Z-form duplex: significance for base analogue mutagenesis.
J.Mol.Biol., 251, 1995
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3WZF
 | | Crystal structure of human cytoplasmic aspartate aminotransferase | | Descriptor: | Aspartate aminotransferase, cytoplasmic | | Authors: | Jiang, X, Chang, H, Zhou, Y, Chen, L, Yang, Q. | | Deposit date: | 2014-09-24 | | Release date: | 2015-10-07 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.991 Å) | | Cite: | Recombinant expression, purification and Preliminary crystallographic studies of human cytoplasmic aspartate aminotransferase
To be Published
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1GHC
 | | HOMO-AND HETERONUCLEAR TWO-DIMENSIONAL NMR STUDIES OF THE GLOBULAR DOMAIN OF HISTONE H1: FULL ASSIGNMENT, TERTIARY STRUCTURE, AND COMPARISON WITH THE GLOBULAR DOMAIN OF HISTONE H5 | | Descriptor: | GH1 | | Authors: | Cerf, C, Lippens, G, Ramakrishnan, V, Muyldermans, S, Segers, A, Wyns, L, Wodak, S.J, Hallenga, K. | | Deposit date: | 1994-05-16 | | Release date: | 1994-08-31 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Homo- and heteronuclear two-dimensional NMR studies of the globular domain of histone H1: full assignment, tertiary structure, and comparison with the globular domain of histone H5.
Biochemistry, 33, 1994
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