4OLT
| Chitosanase complex structure | Descriptor: | 2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose-(1-4)-2-amino-2-deoxy-beta-D-glucopyranose, Chitosanase, GLYCEROL | Authors: | Liu, W.Z, Lyu, Q.Q, Han, B.Q. | Deposit date: | 2014-01-25 | Release date: | 2014-04-30 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structural insights into the substrate-binding mechanism for a novel chitosanase. Biochem.J., 461, 2014
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3V6A
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4KFO
| Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W. | Deposit date: | 2013-04-27 | Release date: | 2013-05-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors. J.Med.Chem., 56, 2013
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4LTS
| Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-23 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.692 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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1ZVC
| X-ray structure of allene oxide cyclase from arabidopsis thaliana AT3G25760 | Descriptor: | MAGNESIUM ION, allene oxide cyclase | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Allard, S.T.M, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-06-01 | Release date: | 2005-06-14 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | X-ray structure of allene oxide cyclase from arabidopsis thaliana AT3G25760 To be published
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4LWW
| Discovery of Potent and Efficacious Cyanoguanidine-containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors | Descriptor: | 1,2-ETHANEDIOL, N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide, Nicotinamide phosphoribosyltransferase, ... | Authors: | Zheng, X, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynoids, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Oh, A, Wang, W, Zak, M, Wang, L, Yuen, P, Bair, K.W. | Deposit date: | 2013-07-28 | Release date: | 2013-12-25 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.641 Å) | Cite: | Discovery of potent and efficacious cyanoguanidine-containing nicotinamide phosphoribosyltransferase (Nampt) inhibitors. Bioorg.Med.Chem.Lett., 24, 2014
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4KR0
| Complex structure of MERS-CoV spike RBD bound to CD26 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dipeptidyl peptidase 4, ... | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-15 | Release date: | 2013-07-10 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.702 Å) | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26. Nature, 500, 2013
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2MD0
| Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm) | Descriptor: | AcK1 | Authors: | Chhabra, S, Swarbrick, J.D, Mohanty, B, Chang, S.C, Chandy, G.K, Pennington, M.W, Norton, R.S. | Deposit date: | 2013-08-28 | Release date: | 2014-07-02 | Last modified: | 2024-10-16 | Method: | SOLUTION NMR | Cite: | Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases. Faseb J., 28, 2014
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1UHE
| Crystal structure of aspartate decarboxylase, isoaspargine complex | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain, N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE | Authors: | Lee, B.I, Kwon, A.-R, Han, B.W, Suh, S.W. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystal structure of the schiff base intermediate prior to decarboxylation in the catalytic cycle of aspartate alpha-decarboxylase J.Mol.Biol., 340, 2004
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1UHD
| Crystal structure of aspartate decarboxylase, pyruvoly group bound form | Descriptor: | Aspartate 1-decarboxylase alpha chain, Aspartate 1-decarboxylase beta chain | Authors: | Lee, B.I, Kwon, A.-R, Han, B.W, Suh, S.W. | Deposit date: | 2003-07-01 | Release date: | 2004-07-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the schiff base intermediate prior to decarboxylation in the catalytic cycle of aspartate alpha-decarboxylase J.Mol.Biol., 340, 2004
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2BDU
| X-Ray Structure of a Cytosolic 5'-Nucleotidase III from Mus Musculus MM.158936 | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Cytosolic 5'-nucleotidase III | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Bae, E, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-10-20 | Release date: | 2005-11-01 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure of pyrimidine 5'-nucleotidase type 1. Insight into mechanism of action and inhibition during lead poisoning. J.Biol.Chem., 281, 2006
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1IX1
| Crystal Structure of P.aeruginosa Peptide deformylase Complexed with Antibiotic Actinonin | Descriptor: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, ACTINONIN, ZINC ION, ... | Authors: | Kim, H.-W, Yoon, H.-J, Lee, J.Y, Han, B.W, Yang, J.K, Lee, B.I, Ahn, H.J, Lee, H.H, Suh, S.W. | Deposit date: | 2002-06-07 | Release date: | 2003-09-09 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of peptide deformylase from Staphylococcus aureus in complex with actinonin, a naturally occurring antibacterial agent Proteins, 57, 2004
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4KQZ
| structure of the receptor binding domain (RBD) of MERS-CoV spike | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, S protein | Authors: | Lu, G, Hu, Y, Wang, Q, Qi, J, Gao, F, Li, Y, Zhang, Y, Zhang, W, Yuan, Y, Bao, J, Zhang, B, Shi, Y, Yan, J, Gao, G.F. | Deposit date: | 2013-05-15 | Release date: | 2013-07-10 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.514 Å) | Cite: | Molecular basis of binding between novel human coronavirus MERS-CoV and its receptor CD26. Nature, 500, 2013
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4GVJ
| Tyk2 (JH1) in complex with adenosine di-phosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Non-receptor tyrosine-protein kinase TYK2 | Authors: | Liang, J, Abbema, A.V, Bao, L, Barrett, K, Beresini, M, Berezhkovskiy, L, Blair, W, Chang, C, Driscoll, J, Eigenbrot, C, Ghilardi, N, Gibbons, P, Halladay, J, Johnson, A, Kohli, P.B, Lai, Y, Liimatta, M, Mantik, P, Menghrajani, K, Murray, J, Sambrone, A, Shao, Y, Shia, S, Shin, Y, Smith, J, Sohn, S, Stanley, M, Tsui, V, Ultsch, M, Wu, L, Zhang, B, Magnuson, S. | Deposit date: | 2012-08-30 | Release date: | 2013-08-14 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Lead identification of novel and selective TYK2 inhibitors. Eur.J.Med.Chem., 67, 2013
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2BE4
| X-RAY STRUCTURE AN EF-HAND PROTEIN FROM DANIO RERIO Dr.36843 | Descriptor: | hypothetical protein LOC449832 | Authors: | Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Bae, E, Center for Eukaryotic Structural Genomics (CESG) | Deposit date: | 2005-10-21 | Release date: | 2005-11-01 | Last modified: | 2017-10-18 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray structure of Danio rerio secretagogin: A hexa-EF-hand calcium sensor. Proteins, 76, 2009
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4CAU
| THREE-DIMENSIONAL STRUCTURE OF DENGUE VIRUS SEROTYPE 1 COMPLEXED WITH 2 HMAB 14C10 FAB | Descriptor: | ENVELOPE PROTEIN E, FAB 14C10 | Authors: | Teoh, E.P, Kukkaro, P, Teo, E.W, Lim, A.P, Tan, T.T, Yip, A, Schul, W, Aung, M, Kostyuchenko, V.A, Leo, Y.S, Chan, S.H, Smith, K.G, Chan, A.H, Zou, G, Ooi, E.E, Kemeny, D.M, Tan, G.K, Ng, J.K, Ng, M.L, Alonso, S, Fisher, D, Shi, P.Y, Hanson, B.J, Lok, S.M, Macary, P.A. | Deposit date: | 2013-10-09 | Release date: | 2013-10-16 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | The Structural Basis for Serotype-Specific Neutralization of Dengue Virus by a Human Antibody. Sci.Trans.Med, 4, 2012
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4MZ4
| Discovery of an Irreversible HCV NS5B Polymerase Inhibitor | Descriptor: | 1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid, PHOSPHATE ION, RNA-directed RNA polymerase | Authors: | Zeng, Q, Anilkumar, G.N, Rosenblum, S.B, Huang, H.-C, Lesburg, C.A, Jiang, Y, Selyutin, O, Chan, T.-Y, Bennett, F, Chen, K.X, Venkatraman, S, Sannigrahi, M, Velazquez, F, Duca, J.S, Gavalas, S, Huang, Y, Pu, H, Wang, L, Pinto, P, Vibulbhan, B, Agrawal, S, Ferrari, E, Jiang, C.-K, Li, C, Hesk, D, Gesell, J, Sorota, S, Shih, N.-Y, Njoroge, F.G, Kozlowski, J.A. | Deposit date: | 2013-09-29 | Release date: | 2013-12-11 | Last modified: | 2013-12-18 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Discovery of an irreversible HCV NS5B polymerase inhibitor. Bioorg.Med.Chem.Lett., 23, 2013
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7ZHI
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7ZGS
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7ZP2
| Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with BDA-04 | Descriptor: | Aspartate carbamoyltransferase, SODIUM ION, SULFATE ION, ... | Authors: | Wang, C, Zhang, B, Groves, M.R. | Deposit date: | 2022-04-26 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.292 Å) | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7ZST
| Crystal Structure of truncated aspartate transcarbamoylase from Plasmodium falciparum in complex with FLA-01 | Descriptor: | 2-azanyl-~{N}-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide, Aspartate carbamoyltransferase, GLYCEROL, ... | Authors: | Wang, C, Zhang, B, Groves, M.R. | Deposit date: | 2022-05-08 | Release date: | 2022-08-24 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Small-Molecule Allosteric Inhibitors of Pf ATC as Antimalarials. J.Am.Chem.Soc., 144, 2022
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7ZID
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7ESF
| The Crystal Structure of human MTH1 from Biortus | Descriptor: | 7,8-dihydro-8-oxoguanine triphosphatase, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL | Authors: | Wang, F, Cheng, W, Shang, H, Wang, R, Zhang, B, Tian, F. | Deposit date: | 2021-05-10 | Release date: | 2021-05-26 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of human MTH1 from Biortus To Be Published
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6PWX
| Cryo-EM structure of RbBP5 bound to the nucleosome | Descriptor: | DNA (146-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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6PWV
| Cryo-EM structure of MLL1 core complex bound to the nucleosome | Descriptor: | DNA (147-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Park, S.H, Ayoub, A, Lee, Y.T, Xu, J, Zhang, W, Zhang, B, Zhang, Y, Cianfrocco, M.A, Su, M, Dou, Y, Cho, U. | Deposit date: | 2019-07-23 | Release date: | 2019-12-18 | Last modified: | 2023-08-16 | Method: | ELECTRON MICROSCOPY (6.2 Å) | Cite: | Cryo-EM structure of the human MLL1 core complex bound to the nucleosome. Nat Commun, 10, 2019
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