1YSW
 
 | | Solution structure of the anti-apoptotic protein Bcl-2 complexed with an acyl-sulfonamide-based ligand | | Descriptor: | 3-NITRO-N-{4-[2-(2-PHENYLETHYL)-1,3-BENZOTHIAZOL-5-YL]BENZOYL}-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE, Apoptosis regulator Bcl-2 | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-09 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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2YKN
 | | Crystal structure of HIV-1 Reverse Transcriptase (RT) in complex with a Difluoromethylbenzoxazole (DFMB) Pyrimidine Thioether derivative, a non-nucleoside RT inhibitor (NNRTI) | | Descriptor: | 2-[DIFLUORO-[(4-METHYL-PYRIMIDINYL)-THIO]METHYL]-BENZOXAZOLE, CALCIUM ION, REVERSE TRANSCRIPTASE/RIBONUCLEASE H | | Authors: | Boyer, J, Arnoult, E, Medebielle, M, Guillemont, J, Unge, T, Unge, J, Jochmans, D. | | Deposit date: | 2011-05-28 | | Release date: | 2011-08-17 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Difluoromethylbenzoxazole Pyrimidine Thioether Derivatives: A Novel Class of Potent Non-Nucleoside HIV-1 Reverse Transcriptase Inhibitors.
J.Med.Chem., 54, 2011
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6KAK
 | | Crystal structure of FKRP in complex with Mg ion | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fukutin-related protein, MAGNESIUM ION, ... | | Authors: | Kuwabara, N. | | Deposit date: | 2019-06-23 | | Release date: | 2020-01-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.056 Å) | | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy.
Nat Commun, 11, 2020
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2Q57
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2Q7W
 | | Structural Studies Reveals the Inactivation of E. coli L-aspartate aminotransferase (S)-4,5-amino-dihydro-2-thiophenecarboxylic acid (SADTA) via two mechanisms at pH 6.0 | | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID, Aspartate aminotransferase, ... | | Authors: | Liu, D, Pozharski, E, Lepore, B, Fu, M, Silverman, R.B, Petsko, G.A, Ringe, D. | | Deposit date: | 2007-06-07 | | Release date: | 2007-09-04 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Inactivation of Escherichia coli l-Aspartate Aminotransferase by (S)-4-Amino-4,5-dihydro-2-thiophenecarboxylic Acid Reveals "A Tale of Two Mechanisms".
Biochemistry, 46, 2007
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6KBW
 | | Crystal structure of Tmm from Myroides profundi D25 | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Trimethylamine monooxygenase | | Authors: | Li, C.Y, Zhang, Y.Z. | | Deposit date: | 2019-06-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.686 Å) | | Cite: | Oxidation of trimethylamine to trimethylamine N-oxide facilitates high hydrostatic pressure tolerance in a generalist bacterial lineage.
Sci Adv, 7, 2021
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1YO0
 | | Proton Transfer from His200 in Human Carbonic Anhydrase II | | Descriptor: | CHLORIDE ION, Carbonic anhydrase II, ZINC ION | | Authors: | Bhatt, D, Tu, C, Fisher, S.Z, Hernandez Prada, J.A, McKenna, R, Silverman, D.N. | | Deposit date: | 2005-01-26 | | Release date: | 2005-09-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Proton transfer in a Thr200His mutant of human carbonic anhydrase II
Proteins, 61, 2005
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2Y69
 | | Bovine heart cytochrome c oxidase re-refined with molecular oxygen | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, CHOLIC ACID, ... | | Authors: | Kaila, V.R.I, Oksanen, E, Goldman, A, Verkhovsky, M.I, Sundholm, D, Wikstrom, M. | | Deposit date: | 2011-01-20 | | Release date: | 2011-02-23 | | Last modified: | 2019-11-06 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A Combined Quantum Chemical and Crystallographic Study on the Oxidized Binuclear Center of Cytochrome C Oxidase.
Biochim.Biophys.Acta, 1807, 2011
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1YPA
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3N6E
 | | Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
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6KDJ
 | | HIV-1 reverse transcriptase with Q151M/Y115F/F116Y:DNA:lamivudine 5'-triphosphate ternary complex | | Descriptor: | DNA/RNA (38-MER), GLYCEROL, HIV-1 RT p51 subunit, ... | | Authors: | Yasutake, Y, Hattori, S.I, Tamura, N, Maeda, K. | | Deposit date: | 2019-07-02 | | Release date: | 2020-03-04 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural features in common of HBV and HIV-1 resistance against chirally-distinct nucleoside analogues entecavir and lamivudine.
Sci Rep, 10, 2020
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8S9B
 | | Cryo-EM structure of Nav1.7 with LCM | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2023-03-27 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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1YPP
 | | ACID ANHYDRIDE HYDROLASE | | Descriptor: | INORGANIC PYROPHOSPHATASE, MANGANESE (II) ION, PHOSPHATE ION | | Authors: | Harutyunyan, E.H, Kuranova, I.P, Lamzin, V.S, Dauter, Z, Wilson, K.S. | | Deposit date: | 1996-05-29 | | Release date: | 1996-12-07 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | X-ray structure of yeast inorganic pyrophosphatase complexed with manganese and phosphate.
Eur.J.Biochem., 239, 1996
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6K4J
 | | Crystal Structure of the the CD9 | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CD9 antigen, NICKEL (II) ION, ... | | Authors: | Umeda, R, Nishizawa, T, Sato, K, Nureki, O. | | Deposit date: | 2019-05-24 | | Release date: | 2020-05-13 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Structural insights into tetraspanin CD9 function.
Nat Commun, 11, 2020
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6K4N
 | | Cryo-EM structure of p300 | | Descriptor: | Histone acetyltransferase p300 | | Authors: | Ghosh, R, Roy, S, Sengupta, J. | | Deposit date: | 2019-05-24 | | Release date: | 2019-06-19 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (9.8 Å) | | Cite: | Tumor Suppressor p53-Mediated Structural Reorganization of the Transcriptional Coactivator p300.
Biochemistry, 58, 2019
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8S9C
 | | Cryo-EM structure of Nav1.7 with CBZ | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Fan, X, Huang, J, Yan, N. | | Deposit date: | 2023-03-27 | | Release date: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural mapping of Na v 1.7 antagonists.
Nat Commun, 14, 2023
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2Q6W
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6K5E
 | | Crystal structure of BioH from Klebsiella pneumonia | | Descriptor: | Pimeloyl-[acyl-carrier protein] methyl ester esterase | | Authors: | Wang, L, Chen, Y. | | Deposit date: | 2019-05-28 | | Release date: | 2019-07-17 | | Last modified: | 2020-05-06 | | Method: | X-RAY DIFFRACTION (2.257 Å) | | Cite: | Structural insight into the carboxylesterase BioH from Klebsiella pneumoniae.
Biochem.Biophys.Res.Commun., 520, 2019
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8SC3
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8SC4
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3MV0
 | | E. COLI (lacZ) BETA-GALACTOSIDASE (R599A) IN COMPLEX WITH D-GALCTOPYRANOSYL-1-ONE | | Descriptor: | Beta-galactosidase, D-galactonolactone, DIMETHYL SULFOXIDE, ... | | Authors: | Dugdale, M.L, Vance, M, Driedger, M.L, Nibber, A, Tran, A, Huber, R.E. | | Deposit date: | 2010-05-03 | | Release date: | 2011-03-16 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Importance of Arg-599 of b-galactosidase (Escherichia coli) as an anchor for the open conformations of Phe-601 and the active-site loop
Biochem.Cell Biol., 88, 2010
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2YPT
 | | Crystal structure of the human nuclear membrane zinc metalloprotease ZMPSTE24 mutant (E336A) in complex with a synthetic CSIM tetrapeptide from the C-terminus of prelamin A | | Descriptor: | CAAX PRENYL PROTEASE 1 HOMOLOG, PRELAMIN-A/C, ZINC ION | | Authors: | Pike, A.C.W, Dong, Y.Y, Quigley, A, Dong, L, Savitsky, P, Cooper, C.D.O, Chaikuad, A, Goubin, S, Shrestha, L, Li, Q, Mukhopadhyay, S, Yang, J, Xia, X, Shintre, C.A, Barr, A.J, Berridge, G, Chalk, R, Bray, J.E, von Delft, F, Bullock, A, Bountra, C, Arrowsmith, C.H, Edwards, A, Burgess-Brown, N, Carpenter, E.P. | | Deposit date: | 2012-11-01 | | Release date: | 2012-12-05 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | The Structural Basis of Zmpste24-Dependent Laminopathies.
Science, 339, 2013
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3N65
 | | Structure of neuronal nitric oxide synthase S602H mutant heme domain in complex with 6,6'-(2,2'-(pyridine-3,5-diyl)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Li, H, Delker, S.L, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
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1YSI
 | | Solution structure of the anti-apoptotic protein Bcl-xL in complex with an acyl-sulfonamide-based ligand | | Descriptor: | Apoptosis regulator Bcl-X, N-[(4'-FLUORO-1,1'-BIPHENYL-4-YL)CARBONYL]-3-NITRO-4-{[2-(PHENYLSULFANYL)ETHYL]AMINO}BENZENESULFONAMIDE | | Authors: | Oltersdorf, T, Elmore, S.W, Shoemaker, A.R, Armstrong, R.C, Augeri, D.J, Belli, B.A, Bruncko, M, Deckwerth, T.L, Dinges, J, Hajduk, P.J, Joseph, M.K, Kitada, S, Korsmeyer, S.J, Kunzer, A.R, Letai, A, Li, C, Mitten, M.J, Nettesheim, D.G, Ng, S, Nimmer, P.M, O'Connor, J.M, Oleksijew, A, Petros, A.M, Reed, J.C, Shen, W, Tahir, S.K, Thompson, C.B, Tomaselli, K.J, Wang, B, Wendt, M.D, Zhang, H, Fesik, S.W, Rosenberg, S.H. | | Deposit date: | 2005-02-08 | | Release date: | 2005-06-07 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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2Q74
 | | Mycobacterium tuberculosis SuhB | | Descriptor: | Inositol-1-monophosphatase | | Authors: | Brown, A.K, Meng, G, Ghadbane, H, Besra, G.S, Futterer, K. | | Deposit date: | 2007-06-06 | | Release date: | 2007-10-23 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dimerization of inositol monophosphatase Mycobacterium tuberculosis SuhB is not constitutive, but induced by binding of the activator Mg2+
Bmc Struct.Biol., 7, 2007
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