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
|
|
1F7C
| CRYSTAL STRUCTURE OF THE BH DOMAIN FROM GRAF, THE GTPASE REGULATOR ASSOCIATED WITH FOCAL ADHESION KINASE | Descriptor: | RHOGAP PROTEIN | Authors: | Longenecker, K.L, Derewenda, U, Sheffield, P.J, Zheng, Y, Derewenda, Z.S. | Deposit date: | 2000-06-26 | Release date: | 2000-12-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure of the BH domain from graf and its implications for Rho GTPase recognition. J.Biol.Chem., 275, 2000
|
|
4RFQ
| Human Methyltransferase-Like 18 | Descriptor: | Histidine protein methyltransferase 1 homolog, S-ADENOSYLMETHIONINE, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Ravichandran, M, Li, Y, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Hong, B.S, Structural Genomics Consortium (SGC) | Deposit date: | 2014-09-26 | Release date: | 2014-10-08 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Human Methyltransferase-Like 18 TO BE PUBLISHED
|
|
3KBF
| C. elegans Cu,Zn Superoxide Dismutase | Descriptor: | COPPER (II) ION, SULFATE ION, Superoxide dismutase [Cu-Zn], ... | Authors: | Pakhomova, O.N, Taylor, A.B, Schuermann, J.P, Culotta, V.L, Hart, P.J. | Deposit date: | 2009-10-20 | Release date: | 2010-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | X-ray Crystal Structure of C. elegans Cu,Zn Superoxide Dismutase To be Published
|
|
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
|
|
6SSA
| Human Leukocyte Antigen Class I A02 Carrying LLWNGPMQV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, CALCIUM ION, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
|
|
6SS9
| Human Leukocyte Antigen Class I A02 Carrying LLWNGPMHV | Descriptor: | 1,2-ETHANEDIOL, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ... | Authors: | Rizkallah, P.J, Bovay, A. | Deposit date: | 2019-09-06 | Release date: | 2020-07-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Identification of a superagonist variant of the immunodominant Yellow fever virus epitope NS4b214-222by combinatorial peptide library screening. Mol.Immunol., 125, 2020
|
|
3KM2
| |
2KEM
| Extended structure of citidine deaminase domain of APOBEC3G | Descriptor: | DNA dC->dU-editing enzyme APOBEC-3G, ZINC ION | Authors: | Harjes, E, Gross, P.J, Chen, K, Lu, Y, Shindo, K, Nowarski, R, Gross, J.D, Kotler, M, Harris, R.S, Matsuo, H. | Deposit date: | 2009-01-30 | Release date: | 2009-06-02 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | An extended structure of the APOBEC3G catalytic domain suggests a unique holoenzyme model J.Mol.Biol., 389, 2009
|
|
2Y6F
| Isopenicillin N synthase with AC-D-S-methyl-3R-methylcysteine | Descriptor: | (2S)-2-AMINO-6-[[(2R)-1-[[(2S)-1-HYDROXY-3-METHYLSULFANYL-1-OXO-BUTAN-2-YL]AMINO]-1-OXO-3-SULFANYL-PROPAN-2-YL]AMINO]-6-OXO-HEXANOIC ACID, FE (III) ION, ISOPENICILLIN N SYNTHASE, ... | Authors: | Rutledge, P.J, Clifton, I.J, Ge, W. | Deposit date: | 2011-01-21 | Release date: | 2011-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Isopenicillin N Synthase Binds Delta-(L-Alpha-Aminoadipoyl)-L-Cysteinyl-D-Thia-Allo-Isoleucine Through Both Sulfur Atoms. Chembiochem, 12, 2011
|
|
2KRR
| Solution structure of the RBD1,2 domains from human nucleolin | Descriptor: | Nucleolin | Authors: | Arumugam, N, Miller, C, Maliekal, J, Bates, P.J, Trent, J.O, Lane, A.N. | Deposit date: | 2009-12-22 | Release date: | 2010-05-05 | Last modified: | 2024-05-08 | Method: | SOLUTION NMR | Cite: | Solution structure of the RBD1,2 domains from human nucleolin. J.Biomol.Nmr, 47, 2010
|
|
2YP5
| Haemagglutinin of 2004 Human H3N2 Virus in Complex with Avian Receptor Analogue 3SLN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | Deposit date: | 2012-10-29 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
7CFW
| Crystal structure of the receiver domain of sensor histidine kinase PA1611 (PA1611REC) from Pseudomonas aeruginosa PAO1 with calcium ion coordinated in the active site cleft | Descriptor: | CALCIUM ION, Histidine kinase | Authors: | Chen, S.K, Guan, H.H, Wu, P.H, Lin, L.T, Wu, M.C, Chang, H.Y, Chen, N.C, Lin, C.C, Chuankhayan, P, Huang, Y.C, Lin, P.J, Chen, C.J. | Deposit date: | 2020-06-29 | Release date: | 2020-11-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | Structural insights into the histidine-containing phospho-transfer protein and receiver domain of sensor histidine kinase suggest a complex model in the two-component regulatory system in Pseudomonas aeruginosa Iucrj, 7, 2020
|
|
4QQN
| Protein arginine methyltransferase 3 in complex with compound MTV044246 | Descriptor: | 1-{2-[1-(aminomethyl)cyclohexyl]ethyl}-3-isoquinolin-6-ylurea, CHLORIDE ION, GLYCEROL, ... | Authors: | Dong, A, Dobrovetsky, E, Tempel, W, He, H, Zhao, K, Smil, D, Landon, M, Luo, X, Chen, Z, Dai, M, Yu, Z, Lin, Y, Zhang, H, Zhao, K, Schapira, M, Brown, P.J, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Vedadi, M, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Discovery of Potent and Selective Allosteric Inhibitors of Protein Arginine Methyltransferase 3 (PRMT3). J. Med. Chem., 61, 2018
|
|
2YP2
| Haemagglutinin of 2004 Human H3N2 Virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Xiong, X, Lin, Y.P, Wharton, S.A, Martin, S.R, Coombs, P.J, Vachieri, S.G, Christodoulou, E, Walker, P.A, Liu, J, Skehel, J.J, Gamblin, S.J, Hay, A.J, Daniels, R.S, McCauley, J.W. | Deposit date: | 2012-10-29 | Release date: | 2012-11-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Evolution of the Receptor Binding Properties of the Influenza A(H3N2) Hemagglutinin. Proc.Natl.Acad.Sci.USA, 109, 2012
|
|
2KUR
| |
2KUV
| |
4QQ6
| Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Survival motor neuron protein, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-26 | Release date: | 2014-08-06 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
|
|
4QQD
| Crystal Structure of tandem tudor domains of UHRF1 in complex with a small organic molecule | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, E3 ubiquitin-protein ligase UHRF1, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Iqbal, A, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Brown, P.J, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2014-06-27 | Release date: | 2014-08-06 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun, 13, 2022
|
|
3GCD
| Structure of the V. cholerae RTX cysteine protease domain in complex with an aza-Leucine peptide inhibitor | Descriptor: | INOSITOL HEXAKISPHOSPHATE, RTX toxin RtxA, SODIUM ION, ... | Authors: | Lupardus, P.J, Garcia, K.C, Shen, A, Bogyo, M. | Deposit date: | 2009-02-21 | Release date: | 2009-05-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Mechanistic and structural insights into the proteolytic activation of Vibrio cholerae MARTX toxin. Nat.Chem.Biol., 5, 2009
|
|
1HB2
| ISOPENICILLIN N SYNTHASE FROM ASPERGILLUS NIDULANS (OXYGEN EXPOSED PRODUCT FROM ANAEROBIC ACOV FE COMPLEX) | Descriptor: | FE (II) ION, ISOPENICILLIN N SYNTHASE, N6-[(1S)-2-{[(1R)-1-CARBOXY-2-METHYLPROPYL]OXY}-1-(MERCAPTOCARBONYL)-2-OXOETHYL]-6-OXO-L-LYSINE, ... | Authors: | Ogle, J.M, Clifton, I.J, Rutledge, P.J, Elkins, J.M, Burzlaff, N.I, Adlington, R.M, Roach, P.L, Baldwin, J.E. | Deposit date: | 2001-04-11 | Release date: | 2001-11-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Alternative Oxidation by Isopenicillin N Synthase Observed by X-Ray Diffraction. Chem.Biol., 8, 2001
|
|
6SXL
| Crystal structure of CrtE | Descriptor: | Geranylgeranyl pyrophosphate synthase, PHOSPHATE ION | Authors: | Feng, Y, Morgan, R.M.L, Nixon, P.J. | Deposit date: | 2019-09-26 | Release date: | 2020-06-24 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure of Geranylgeranyl Pyrophosphate Synthase (CrtE) Involved in Cyanobacterial Terpenoid Biosynthesis. Front Plant Sci, 11, 2020
|
|
7QCP
| |
7LP8
| The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 | Descriptor: | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2021-02-11 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | The crystal structure of I38T mutant PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 To Be Published
|
|
7LP7
| The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 | Descriptor: | (phenylmethyl) (2~{S})-2-[5-oxidanyl-6-oxidanylidene-4-(2-pyridin-4-ylethylcarbamoyl)-1~{H}-pyrimidin-2-yl]pyrrolidine-1-carboxylate, Hexa Vinylpyrrolidone K15, MANGANESE (II) ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2021-02-11 | Release date: | 2022-02-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The crystal structure of the wild type PA endonuclease (2009/H1N1/CALIFORNIA) in complex with SJ000983476 To Be Published
|
|