4L8K
 
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4MCJ
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4LR4
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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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4M1M
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4LVZ
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4M0F
 | | Structure of human acetylcholinesterase in complex with territrem B | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.304 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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4LQZ
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4MDW
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4LVF
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | (1S,2S)-2-phenyl-N-(pyridin-4-yl)cyclopropanecarboxamide, 1,2-ETHANEDIOL, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVY
 | | Structure of the THF riboswitch bound to pemetrexed | | Descriptor: | 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, THF riboswitch | | Authors: | Trausch, J.J, Batey, R.T. | | Deposit date: | 2013-07-26 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
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4MHU
 | | Crystal structure of EctD from S. alaskensis with bound Fe | | Descriptor: | Ectoine hydroxylase, FE (III) ION, N-DODECYL-N,N-DIMETHYLGLYCINATE | | Authors: | Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
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4M0E
 | | Structure of human acetylcholinesterase in complex with dihydrotanshinone I | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Cheung, J, Gary, E.N, Shiomi, K, Rosenberry, T.L. | | Deposit date: | 2013-08-01 | | Release date: | 2013-10-16 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structures of human acetylcholinesterase bound to dihydrotanshinone I and territrem B show peripheral site flexibility.
ACS Med Chem Lett, 4, 2013
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4M2T
 | | Corrected Structure of Mouse P-glycoprotein bound to QZ59-SSS | | Descriptor: | (4S,11S,18S)-4,11,18-tri(propan-2-yl)-6,13,20-triselena-3,10,17,22,23,24-hexaazatetracyclo[17.2.1.1~5,8~.1~12,15~]tetracosa-1(21),5(24),7,12(23),14,19(22)-hexaene-2,9,16-trione, Multidrug resistance protein 1A | | Authors: | Li, J, Jaimes, K.F, Aller, S.G. | | Deposit date: | 2013-08-05 | | Release date: | 2013-11-13 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (4.35 Å) | | Cite: | Refined structures of mouse P-glycoprotein.
Protein Sci., 23, 2014
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4LQG
 | | X-ray structure of human glutamate carboxypeptidase II (GCPII) in complex with a phosphoramidate inhibitor CTT1056 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Barinka, C, Skultetyova, L. | | Deposit date: | 2013-07-18 | | Release date: | 2014-12-31 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Structure-Activity Relationship of (18)F-Labeled Phosphoramidate Peptidomimetic Prostate-Specific Membrane Antigen (PSMA)-Targeted Inhibitor Analogues for PET Imaging of Prostate Cancer.
J.Med.Chem., 59, 2016
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4LT7
 | | Crystal structure of the c2a domain of rabphilin-3a in complex with a calcium | | Descriptor: | CALCIUM ION, Rabphilin-3A | | Authors: | Verdaguer, N, Ferrer-Orta, C, Buxaderas, M, Corbalan-Garcia, S, Perez-Sanchez, D, Guerrero-Valero, M, Luengo, G, Pous, J, Guerra, P, Gomez-Fernandez, J.C, Guillen, J. | | Deposit date: | 2013-07-23 | | Release date: | 2013-12-11 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural insights into the Ca2+ and PI(4,5)P2 binding modes of the C2 domains of rabphilin 3A and synaptotagmin 1.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4LVA
 | | Fragment-based Identification of Amides Derived From trans-2-(Pyridin-3-yl)cyclopropanecarboxylic Acid as Potent Inhibitors of Human Nicotinamide Phosphoribosyltransferase (NAMPT) | | Descriptor: | 1,2-ETHANEDIOL, N-(4-{[4-(pyrrolidin-1-yl)piperidin-1-yl]sulfonyl}benzyl)-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-amine 1,1-dioxide, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Giannetti, A.M, Zheng, X, Skelton, N, Wang, W, Bravo, B, Feng, Y, Gunzner-Toste, J, Ho, Y, Hua, R, Wang, C, Zhao, Q, Liederer, B.M, Liu, Y, O'Brien, T, Oeh, J, Sampath, D, Shen, Y, Wang, L, Wu, H, Xiao, Y, Yuen, P, Zak, M, Zhao, G, Dragovich, P.S. | | Deposit date: | 2013-07-26 | | Release date: | 2013-09-25 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Identification of amides derived from 1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT).
Bioorg.Med.Chem.Lett., 23, 2013
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4LVV
 | | Structure of the THF riboswitch | | Descriptor: | N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid, THF riboswitch | | Authors: | Trausch, J.J, Batey, R.T. | | Deposit date: | 2013-07-26 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
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4LW0
 | | Structure of the THF riboswitch bound to adenine | | Descriptor: | ADENINE, THF riboswitch | | Authors: | Trausch, J.J, Batey, R.T. | | Deposit date: | 2013-07-26 | | Release date: | 2014-03-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.889 Å) | | Cite: | A Disconnect between High-Affinity Binding and Efficient Regulation by Antifolates and Purines in the Tetrahydrofolate Riboswitch.
Chem.Biol., 21, 2014
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4MHR
 | | Crystal structure of EctD from S. alaskensis in its apoform | | Descriptor: | Ectoine hydroxylase | | Authors: | Widderich, N, Hoeppner, A, Pittelkow, M, Heider, J, Smits, S.H, Bremer, E. | | Deposit date: | 2013-08-30 | | Release date: | 2014-09-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
J.Biol.Chem., 289, 2014
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4MNB
 | | Crystal Structure of a complex between the marine anticancer drug Variolin B and DNA | | Descriptor: | 5'-D(*CP*GP*TP*AP*CP*G)-3', 9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol, COBALT (II) ION, ... | | Authors: | Canals, A, Arribas-Bosacoma, R, Alvarez, M, Albericio, F, Aymami, J, Coll, M. | | Deposit date: | 2013-09-10 | | Release date: | 2015-03-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Intercalative DNA binding of the marine anticancer drug variolin B.
Sci Rep, 7, 2017
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4MJF
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4L7K
 | | Crystal Structure of Ketosteroid Isomerase D38E from Pseudomonas Testosteroni (tKSI) | | Descriptor: | GLYCEROL, SULFATE ION, Steroid Delta-isomerase | | Authors: | Gonzalez, A, Tsai, Y, Schwans, J, Sunden, F, Herschlag, D. | | Deposit date: | 2013-06-14 | | Release date: | 2013-07-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Use of anion-aromatic interactions to position the general base in the ketosteroid isomerase active site.
Proc.Natl.Acad.Sci.USA, 110, 2013
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4L8N
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4L3R
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