2BXG
 
 | | Human serum albumin complexed with ibuprofen | | Descriptor: | IBUPROFEN, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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1X8H
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4L4L
 | | Structural Analysis of a Phosphoribosylated Inhibitor in Complex with Human Nicotinamide Phosphoribosyltransferase | | Descriptor: | 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Ho, Y, Zak, M, Liu, Y, Yuen, P, Zheng, X, Dragovich, S.P, Wang, W. | | Deposit date: | 2013-06-08 | | Release date: | 2014-06-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.122 Å) | | Cite: | Structural and biochemical analyses of the catalysis and potency impact of inhibitor phosphoribosylation by human nicotinamide phosphoribosyltransferase.
Chembiochem, 15, 2014
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2BXQ
 | | Human serum albumin complexed with myristate, phenylbutazone and indomethacin | | Descriptor: | 4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE, INDOMETHACIN, MYRISTIC ACID, ... | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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5DX4
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
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2BXN
 | | Human serum albumin complexed with myristate and iodipamide | | Descriptor: | 3-[5-[(3-CARBOXY-2,4,6-TRIIODO-PHENYL)CARBAMOYL]PENTANOYLAMINO]-2,4,6-TRIIODO-BENZOIC ACID, MYRISTIC ACID, SERUM ALBUMIN | | Authors: | Ghuman, J, Zunszain, P.A, Petitpas, I, Bhattacharya, A.A, Curry, S. | | Deposit date: | 2005-07-26 | | Release date: | 2005-09-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural Basis of the Drug-Binding Specificity of Human Serum Albumin.
J.Mol.Biol., 353, 2005
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5ECU
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5UZ7
 | | Volta phase plate cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex | | Descriptor: | Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | | Authors: | Liang, Y.L, Khoshouei, M, Radjainia, M, Zhang, Y, Glukhova, A, Tarrasch, J, Thal, D.M, Furness, S.G.B, Christopoulos, G, Coudrat, T, Danev, R, Baumeister, W, Miller, L.J, Christopoulos, A, Kobilka, B.K, Wootten, D, Skiniotis, G, Sexton, P.M. | | Deposit date: | 2017-02-24 | | Release date: | 2017-05-03 | | Last modified: | 2018-07-18 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Phase-plate cryo-EM structure of a class B GPCR-G-protein complex.
Nature, 546, 2017
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3IX4
 | | LasR-TP1 complex | | Descriptor: | 2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate, Transcriptional activator protein lasR | | Authors: | Zou, Y, Nair, S.K. | | Deposit date: | 2009-09-03 | | Release date: | 2009-09-15 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular basis for the recognition of structurally distinct autoinducer mimics by the Pseudomonas aeruginosa LasR quorum-sensing signaling receptor.
Chem.Biol., 16, 2009
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2BB5
 | | Structure of Human Transcobalamin in complex with Cobalamin | | Descriptor: | COBALAMIN, Transcobalamin II | | Authors: | Wuerges, J, Garau, G, Geremia, S, Fedosov, S.N, Petersen, T.E, Randaccio, L. | | Deposit date: | 2005-10-17 | | Release date: | 2006-04-04 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for mammalian vitamin B12 transport by transcobalamin.
Proc.Natl.Acad.Sci.Usa, 103, 2006
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3IDQ
 | | Crystal structure of S. cerevisiae Get3 at 3.7 Angstrom resolution | | Descriptor: | ATPase GET3, NICKEL (II) ION, ZINC ION | | Authors: | Suloway, C.J.M, Chartron, J.W, Zaslaver, M, Clemons Jr, W.M. | | Deposit date: | 2009-07-21 | | Release date: | 2009-08-25 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.701 Å) | | Cite: | Model for eukaryotic tail-anchored protein binding based on the structure of Get3
Proc.Natl.Acad.Sci.USA, 106, 2009
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1TJ2
 | | Crystal structure of E. coli PutA proline dehydrogenase domain (residues 86-669) complexed with acetate | | Descriptor: | ACETATE ION, Bifunctional putA protein, FLAVIN-ADENINE DINUCLEOTIDE | | Authors: | Tanner, J.J, Zhang, M, White, T.A, Schuermann, J.P, Baban, B.A, Becker, D.F. | | Deposit date: | 2004-06-03 | | Release date: | 2004-10-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Structures of the Escherichia coli PutA proline dehydrogenase domain in complex with competitive inhibitors
Biochemistry, 43, 2004
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2Z8S
 | | Crystal structure of rhamnogalacturonan lyase YesW complexed with digalacturonic acid | | Descriptor: | CALCIUM ION, YesW protein, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid | | Authors: | Ochiai, A, Itoh, T, Maruyama, Y, Kawamata, A, Mikami, B, Hashimoto, W, Murata, K. | | Deposit date: | 2007-09-10 | | Release date: | 2007-10-16 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A Novel Structural Fold in Polysaccharide Lyases: BACILLUS SUBTILIS FAMILY 11 RHAMNOGALACTURONAN LYASE YesW WITH AN EIGHT-BLADED -PROPELLER
J.Biol.Chem., 282, 2007
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1YSN
 | | Solution structure of the anti-apoptotic protein Bcl-xL 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-X | | 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: | 2023-11-29 | | Method: | SOLUTION NMR | | Cite: | An inhibitor of Bcl-2 family proteins induces regression of solid tumours
Nature, 435, 2005
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1YMU
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1YMV
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2ZE3
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4J5H
 | | Crystal Structure of B. thuringiensis AiiA mutant F107W with N-decanoyl-L-homoserine bound at the active site | | Descriptor: | GLYCEROL, N-acyl homoserine lactonase, N-decanoyl-L-homoserine, ... | | Authors: | Liu, C.F, Liu, D, Momb, J, Thomas, P.W, Lajoie, A, Petsko, G.A, Fast, W, Ringe, D. | | Deposit date: | 2013-02-08 | | Release date: | 2013-06-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | A phenylalanine clamp controls substrate specificity in the quorum-quenching metallo-gamma-lactonase from Bacillus thuringiensis.
Biochemistry, 52, 2013
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5VJD
 | | Class II fructose-1,6-bisphosphate aldolase of Escherichia coli with DHAP | | Descriptor: | 1,3-DIHYDROXYACETONEPHOSPHATE, Fructose-bisphosphate aldolase class 2, SODIUM ION, ... | | Authors: | Sygusch, J, Coincon, M. | | Deposit date: | 2017-04-19 | | Release date: | 2018-04-11 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.701 Å) | | Cite: | Active site remodeling during the catalytic cycle in metal-dependent fructose-1,6-bisphosphate aldolases.
J. Biol. Chem., 293, 2018
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5E0E
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5E8O
 | | The structure of the TEIPP associated altered peptide ligand Trh4-p2ABU in complex with H-2D(b) | | Descriptor: | Beta-2-microglobulin, Ceramide synthase 5, H-2 class I histocompatibility antigen, ... | | Authors: | Hafstrand, I, Doorduijn, E, Duru, A.D, Buratto, J, Oliveira, C.C, Sandalova, T, van Hall, T, Achour, A. | | Deposit date: | 2015-10-14 | | Release date: | 2016-02-03 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | The MHC Class I Cancer-Associated Neoepitope Trh4 Linked with Impaired Peptide Processing Induces a Unique Noncanonical TCR Conformer.
J Immunol., 196, 2016
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2CIC
 | | THE CRYSTAL STRUCTURE OF A COMPLEX OF CAMPYLOBACTER JEJUNI DUTPASE WITH SUBSTRATE ANALOGUE DUPNHPP | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, DEOXYURIDINE 5'-TRIPHOSPHATE NUCLEOTIDE HYDROLASE, MAGNESIUM ION | | Authors: | Moroz, O.V, Harkiolaki, M, Gonzalez-Pacanowska, D, Wilson, K.S. | | Deposit date: | 2006-03-17 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | The Crystal Structure of the Leishmania Major Deoxyuridine Triphosphate Nucleotidohydrolase in Complex with Nucleotide Analogues, Dump, and Deoxyuridine.
J.Biol.Chem., 286, 2011
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4L13
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1XG4
 | | Crystal Structure of the C123S 2-Methylisocitrate Lyase Mutant from Escherichia coli in complex with the inhibitor isocitrate | | Descriptor: | ISOCITRIC ACID, MAGNESIUM ION, Probable methylisocitrate lyase | | Authors: | Liu, S, Lu, Z, Han, Y, Melamud, E, Dunaway-Mariano, D, Herzberg, O. | | Deposit date: | 2004-09-16 | | Release date: | 2005-03-01 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Crystal Structures of 2-Methylisocitrate Lyase in Complex with Product and with Isocitrate Inhibitor Provide Insight into Lyase Substrate Specificity, Catalysis and Evolution
Biochemistry, 44, 2005
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5C37
 | | Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor | | Descriptor: | 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, CHLORIDE ION, Fatty acid synthase, ... | | Authors: | Schubert, C, Milligan, C.M, Vo, K, Grasberger, B. | | Deposit date: | 2015-06-17 | | Release date: | 2016-06-22 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.
Bioorg.Med.Chem.Lett., 28, 2018
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