4GBA
 
 | | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | | Descriptor: | DCN1-like protein 3, NEDD8-conjugating enzyme UBE2F | | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | | Deposit date: | 2012-07-26 | | Release date: | 2012-11-28 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
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4GAO
 | | DCNL complex with N-terminally acetylated NEDD8 E2 peptide | | Descriptor: | BROMIDE ION, DCN1-like protein 2, NEDD8-conjugating enzyme Ubc12 | | Authors: | Monda, J.K, Scott, D.C, Miller, D.J, Harper, J.W, Bennett, E.J, Schulman, B.A. | | Deposit date: | 2012-07-25 | | Release date: | 2012-11-28 | | Last modified: | 2013-01-30 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structural Conservation of Distinctive N-terminal Acetylation-Dependent Interactions across a Family of Mammalian NEDD8 Ligation Enzymes.
Structure, 21, 2013
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4G12
 | | Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis | | Descriptor: | GLYCEROL, Probable transcriptional regulatory protein (Probably TETR-FAMILY) | | Authors: | Singh, A.K, Manjasetty, B.A, Singh, V, Mittal, M, Kumaran, S. | | Deposit date: | 2012-07-10 | | Release date: | 2013-07-10 | | Last modified: | 2014-10-15 | | Method: | X-RAY DIFFRACTION (3.44 Å) | | Cite: | Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
to be published
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4G1U
 | | X-ray structure of the bacterial heme transporter HmuUV from Yersinia pestis | | Descriptor: | Hemin import ATP-binding protein HmuV, Hemin transport system permease protein hmuU, PHOSPHATE ION | | Authors: | Woo, J.-S, Goetz, B.A, Zeltina, A, Locher, K.P. | | Deposit date: | 2012-07-11 | | Release date: | 2012-12-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.008 Å) | | Cite: | X-ray structure of the Yersinia pestis heme transporter HmuUV.
Nat.Struct.Mol.Biol., 19, 2012
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4GSJ
 | | Crystal structure of Atg7 NTD K14A F16A D18A mutant | | Descriptor: | CITRIC ACID, ISOPROPYL ALCOHOL, Ubiquitin-like modifier-activating enzyme ATG7 | | Authors: | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | | Deposit date: | 2012-08-27 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.695 Å) | | Cite: | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
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4GSK
 | | Crystal structure of an Atg7-Atg10 crosslinked complex | | Descriptor: | Ubiquitin-like modifier-activating enzyme ATG7, Ubiquitin-like-conjugating enzyme ATG10, ZINC ION | | Authors: | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | | Deposit date: | 2012-08-27 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
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4GSL
 | | Crystal structure of an Atg7-Atg3 crosslinked complex | | Descriptor: | Autophagy-related protein 3, Ubiquitin-like modifier-activating enzyme ATG7, ZINC ION | | Authors: | Kaiser, S.E, Mao, K, Taherbhoy, A.M, Yu, S, Olszewski, J.L, Duda, D.M, Kurinov, I, Deng, A, Fenn, T.D, Klionsky, D.J, Schulman, B.A. | | Deposit date: | 2012-08-27 | | Release date: | 2012-11-14 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Noncanonical E2 recruitment by the autophagy E1 revealed by Atg7-Atg3 and Atg7-Atg10 structures.
Nat.Struct.Mol.Biol., 19, 2012
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4GQH
 | | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies | | Descriptor: | Capsid protein | | Authors: | Li, X.Y, Song, B.A, Hu, D.Y, Chen, X, Wang, Z.C, Zeng, M.J, Yu, D.D, Chen, Z, Jin, L.H, Yang, S. | | Deposit date: | 2012-08-23 | | Release date: | 2013-08-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | The Conformations and Interactions of the Four-Layer Aggregate Revealed by X-ray Crystallography Diffraction Implied the Importance of Peptides at Opposite Ends in Their Assemblies
To be Published
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3NU1
 | | Structure of holo form of a periplasmic heme binding protein | | Descriptor: | Hemin-binding periplasmic protein, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Mattle, D, Goetz, B.A, Woo, J.S, Locher, K.P. | | Deposit date: | 2010-07-06 | | Release date: | 2010-10-13 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Two stacked heme molecules in the binding pocket of the periplasmic heme-binding protein HmuT from Yersinia pestis.
J.Mol.Biol., 404, 2010
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3O02
 | | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Chenodeoxycholate | | Descriptor: | CHENODEOXYCHOLIC ACID, Cell invasion protein sipD, NICKEL (II) ION | | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | | Deposit date: | 2010-07-18 | | Release date: | 2010-11-17 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
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3O01
 | | The Crystal Structure of the Salmonella Type III Secretion System Tip Protein SipD in Complex with Deoxycholate | | Descriptor: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID, Cell invasion protein sipD, NICKEL (II) ION | | Authors: | Chatterjee, S, Zhong, D, Nordhues, B.A, Battaile, K.P, Lovell, S, DeGuzman, R.N. | | Deposit date: | 2010-07-18 | | Release date: | 2010-11-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The crystal structures of the Salmonella type III secretion system tip protein SipD in complex with deoxycholate and chenodeoxycholate.
Protein Sci., 20, 2011
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3OKU
 | | Human Carbonic Anhydrase II in complex with 2-Ethylestrone-3-O-sulfamate | | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OIM
 | | Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate | | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OIL
 | | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3-O-sulfamate | | Descriptor: | (14beta,17alpha)-2-ethyl-17-hydroxyestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, ZINC ION | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3OKV
 | | Human Carbonic Anhydrase II A65S, N67Q (CA IX mimic) bound with 2-Ethylestrone 3-O-sulfamate | | Descriptor: | (9beta)-2-ethyl-17-oxoestra-1(10),2,4-trien-3-yl sulfamate, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-25 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3PAR
 | | Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) in the absence of ligand | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SULFATE ION | | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | Deposit date: | 2010-10-19 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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3PAK
 | | Crystal Structure of Rat Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with Mannose | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ... | | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | Deposit date: | 2010-10-19 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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3OIK
 | | Human Carbonic anhydrase II mutant A65S, N67Q (CA IX mimic) bound by 2-Ethylestradiol 3,17-O,O-bis-sulfamate | | Descriptor: | (9BETA,13ALPHA,14BETA,17ALPHA)-2-ETHYLESTRA-1(10),2,4-TRIENE-3,17-DIYL DISULFAMATE, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Sippel, K.H, Stander, B.A, Robbins, A.H, Tu, C.K, Agbandje-McKenna, M, Silverman, D.N, Joubert, A.M, McKenna, R. | | Deposit date: | 2010-08-19 | | Release date: | 2011-07-06 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Characterization of Carbonic Anhydrase Isozyme Specific Inhibition by Sulfamated 2-Ethylestra Compounds
LETT.DRUG DES.DISCOVERY, 8, 2011
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3ONG
 | | Crystal structure of UBA2ufd-Ubc9: insights into E1-E2 interactions in Sumo pathways | | Descriptor: | SUMO-conjugating enzyme UBC9, Ubiquitin-activating enzyme E1-like | | Authors: | Wang, J, Taherbhoy, A.M, Hunt, H.W, Seyedin, S.N, Miller, D.W, Huang, D.T, Schulman, B.A. | | Deposit date: | 2010-08-28 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal structure of UBA2(ufd)-Ubc9: insights into E1-E2 interactions in Sumo pathways.
Plos One, 5, 2010
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3PAQ
 | | Surfactant Protein A neck and carbohydrate recognition domain (NCRD) complexed with alpha-methylmannose | | Descriptor: | CALCIUM ION, Pulmonary surfactant-associated protein A, SODIUM ION, ... | | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | Deposit date: | 2010-10-19 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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3ONH
 | | Crystal structure of UBA2ufd-Ubc9: insights into E1-E2 interactions in Sumo pathways | | Descriptor: | Ubiquitin-activating enzyme E1-like | | Authors: | Wang, J, Taherbhoy, A.M, Hunt, H.W, Seyedin, S.N, Miller, D.W, Huang, D.T, Schulman, B.A. | | Deposit date: | 2010-08-28 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | Crystal structure of UBA2(ufd)-Ubc9: insights into E1-E2 interactions in Sumo pathways.
Plos One, 5, 2010
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3PBF
 | | Surfactant Protein-A neck and carbohydrate recognition domain (NCRD) complexed with glycerol | | Descriptor: | CALCIUM ION, GLYCEROL, Pulmonary surfactant-associated protein A | | Authors: | Shang, F, Rynkiewicz, M.J, McCormack, F.X, Wu, H, Cafarella, T.M, Head, J, Seaton, B.A. | | Deposit date: | 2010-10-20 | | Release date: | 2010-11-03 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystallographic complexes of surfactant protein A and carbohydrates reveal ligand-induced conformational change.
J.Biol.Chem., 286, 2011
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3PFX
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.2616 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellobiose
TO BE PUBLISHED
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3PFZ
 | | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cellobiohydrolase 1 catalytic domain, SULFATE ION, ... | | Authors: | Qin, L, Pereira, J.H, McAndrew, R.P, Simmons, B.A, Sapra, R, Adams, P.D, Sale, K.L. | | Deposit date: | 2010-10-29 | | Release date: | 2011-11-02 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.0993 Å) | | Cite: | Crystal structure of Cel7A from Talaromyces emersonii in complex with cellotetraose
TO BE PUBLISHED
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1GJ4
 | | SELECTIVITY AT S1, H2O DISPLACEMENT, UPA, TPA, SER190/ALA190 PROTEASE, STRUCTURE-BASED DRUG DESIGN | | Descriptor: | 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE, ACETYL HIRUDIN, SODIUM ION, ... | | Authors: | Katz, B.A, Sprengeler, P.A, Luong, C, Verner, E, Spencer, J.R, Breitenbucher, J.G, Hui, H, McGee, D, Allen, D, Martelli, A, Mackman, R.L. | | Deposit date: | 2001-04-27 | | Release date: | 2002-04-27 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Engineering inhibitors highly selective for the S1 sites of Ser190 trypsin-like serine protease drug targets.
Chem.Biol., 8, 2001
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