5C4D
 
 | | Crystal structure of GTB + UDP-Glc + DI | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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5C38
 | | Crystal structure of AABB + UDP-C-Gal + DI | | Descriptor: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, Histo-blood group ABO system transferase, MANGANESE (II) ION, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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5C3D
 | | Crystal structure of ABBB + UDP-C-Gal (short soak) + DI | | Descriptor: | (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride, 2-(2-METHOXYETHOXY)ETHANOL, Histo-blood group ABO system transferase, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-17 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.39 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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4Q2Z
 | | Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, GE356, from a non-human primate | | Descriptor: | Heavy chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody, Light chain of Fab fragment of HIV vaccine-elicited CD4bs-directed antibody | | Authors: | Navis, M, Tran, K, Bale, S, Phad, G, Guenaga, J, Wilson, R, Soldemo, M, McKee, K, Sundling, C, Mascola, J, Li, Y, Wyatt, R.T, Hedestam, G.B.K. | | Deposit date: | 2014-04-10 | | Release date: | 2014-09-17 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | HIV-1 Receptor Binding Site-Directed Antibodies Using a VH1-2 Gene Segment Orthologue Are Activated by Env Trimer Immunization.
Plos Pathog., 10, 2014
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2V0X
 | | The dimerization domain of LAP2alpha | | Descriptor: | LAMINA-ASSOCIATED POLYPEPTIDE 2 ISOFORMS ALPHA/ZETA | | Authors: | Bradley, C.M, Jones, S, Huang, Y, Suzuki, Y, Kvaratskhelia, M, Hickman, A.B, Craigie, R, Dyda, F. | | Deposit date: | 2007-05-20 | | Release date: | 2007-06-26 | | Last modified: | 2019-05-15 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural Basis for Dimerization of Lap2Alpha, a Component of the Nuclear Lamina.
Structure, 15, 2007
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7KJW
 | | Structure of HIV-1 reverse transcriptase initiation complex core with efavirenz | | Descriptor: | (-)-6-CHLORO-4-CYCLOPROPYLETHYNYL-4-TRIFLUOROMETHYL-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-2-ONE, HIV-1 viral RNA fragment, MAGNESIUM ION, ... | | Authors: | Ha, B, Larsen, K.P, Zhang, J, Fu, Z, Montabana, E, Jackson, L.N, Chen, D.H, Puglisi, E.V. | | Deposit date: | 2020-10-26 | | Release date: | 2021-03-17 | | Last modified: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | High-resolution view of HIV-1 reverse transcriptase initiation complexes and inhibition by NNRTI drugs.
Nat Commun, 12, 2021
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4QDH
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2W3H
 | | Cyanide bound structure of the first GAF domain of Mycobacterium tuberculosis DosS | | Descriptor: | CALCIUM ION, CYANIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Kang, B.S, Cho, H.Y, Cho, H.J. | | Deposit date: | 2008-11-12 | | Release date: | 2009-03-10 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight Into the Heme-Based Redox Sensing by Doss from Mycobacterium Tuberculosis.
J.Biol.Chem., 284, 2009
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3KAF
 | | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors | | Descriptor: | 3-(1H-benzimidazol-2-yl)-N-(1-benzothiophen-2-ylcarbonyl)-D-alanine, Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | | Authors: | Baker, L.M, Dokurno, P, Robinson, D.A, Surgenor, A.E, Murray, J.B, Potter, A.J, Moore, J.D. | | Deposit date: | 2009-10-19 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
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5C4F
 | | Crystal structure of AABB + UDP-Glc + DI | | Descriptor: | Histo-blood group ABO system transferase, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE, ... | | Authors: | Gagnon, S, Meloncelli, P, Zheng, R.B, Haji-Ghassemi, O, Johal, A.R, Borisova, S, Lowary, T.L, Evans, S.V. | | Deposit date: | 2015-06-18 | | Release date: | 2015-09-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.41 Å) | | Cite: | High Resolution Structures of the Human ABO(H) Blood Group Enzymes in Complex with Donor Analogs Reveal That the Enzymes Utilize Multiple Donor Conformations to Bind Substrates in a Stepwise Manner.
J.Biol.Chem., 290, 2015
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4Q2R
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7KHG
 | | Crystal structure of KIT kinase domain with a small molecule inhibitor, PLX3397 | | Descriptor: | 5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-{[6-(trifluoromethyl)pyridin-3-yl]methyl}pyridin-2-amine, Mast/stem cell growth factor receptor Kit | | Authors: | Zhang, Y. | | Deposit date: | 2020-10-21 | | Release date: | 2021-07-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Association of Combination of Conformation-Specific KIT Inhibitors With Clinical Benefit in Patients With Refractory Gastrointestinal Stromal Tumors: A Phase 1b/2a Nonrandomized Clinical Trial.
Jama Oncol, 7, 2021
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3O9C
 | | Crystal Structure of wild-type HIV-1 Protease in complex with kd20 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(1S,2R)-3-{(1,3-benzodioxol-5-ylsulfonyl)[(2S)-2-methylbutyl]amino}-1-benzyl-2-hydroxypropyl]carbamate, Pol polyprotein | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2010-08-04 | | Release date: | 2011-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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6B2P
 | | Dual Inhibition of the Essential Protein Kinases A and B in Mycobacterium tuberculosis | | Descriptor: | 5-{5-chloro-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}thiophene-2-sulfonamide, Serine/threonine-protein kinase PknB | | Authors: | Zuccola, H.J. | | Deposit date: | 2017-09-20 | | Release date: | 2018-02-14 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Mtb PKNA/PKNB Dual Inhibition Provides Selectivity Advantages for Inhibitor Design To Minimize Host Kinase Interactions.
ACS Med Chem Lett, 8, 2017
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7E6W
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6EXU
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1YKJ
 | | A45G p-hydroxybenzoate hydroxylase with p-hydroxybenzoate bound | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, P-HYDROXYBENZOIC ACID, P-hydroxybenzoate hydroxylase, ... | | Authors: | Cole, L.J, Gatti, D.L, Entsch, B, Ballou, D.P. | | Deposit date: | 2005-01-18 | | Release date: | 2005-07-26 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Removal of a methyl group causes global changes in p-hydroxybenzoate hydroxylase.
Biochemistry, 44, 2005
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2W7Y
 | | Structure of a Streptococcus pneumoniae solute-binding protein in complex with the blood group A-trisaccharide. | | Descriptor: | IODIDE ION, PROBABLE SUGAR ABC TRANSPORTER, SUGAR-BINDING PROTEIN, ... | | Authors: | Higgins, M.A, Abbott, D.W, Boulanger, M.J, Boraston, A.B. | | Deposit date: | 2009-01-06 | | Release date: | 2009-03-10 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Blood-Group Antigen Recognition by a Solute-Binding Protein from a Serotype 3 Strain of Streptococcus Pneumoniae.
J.Mol.Biol., 388, 2009
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1YJE
 | | Crystal structure of the rNGFI-B ligand-binding domain | | Descriptor: | Orphan nuclear receptor NR4A1 | | Authors: | Flaig, R, Greschik, H, Peluso-Iltis, C, Moras, D, Structural Proteomics in Europe (SPINE) | | Deposit date: | 2005-01-14 | | Release date: | 2005-02-22 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the cell-specific activities of the NGFI-B and the Nurr1 ligand-binding domain.
J.Biol.Chem., 280, 2005
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4CIJ
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5CDV
 | | Proline dipeptidase from Deinococcus radiodurans R1 | | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, Proline dipeptidase, ... | | Authors: | Kumar, A, Are, V, Ghosh, B, Jamdar, S, Makde, R. | | Deposit date: | 2015-07-05 | | Release date: | 2016-08-10 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Proline dipeptidase from Deinococcus radiodurans R1 at 1.45 Angstrom resolution
To Be Published
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3O9G
 | | Crystal Structure of wild-type HIV-1 Protease in complex with af53 | | Descriptor: | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-3-[(2-ethylbutyl){[4-(hydroxymethyl)phenyl]sulfonyl}amino]-2-hydroxypropyl}carbamate, PHOSPHATE ION, Protease | | Authors: | Schiffer, C.A, Nalam, M.N.L. | | Deposit date: | 2010-08-04 | | Release date: | 2011-08-10 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Substrate envelope-designed potent HIV-1 protease inhibitors to avoid drug resistance.
Chem.Biol., 20, 2013
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2VWK
 | | Uracil Recognition in Archaeal DNA Polymerases Captured by X-ray Crystallography. V93Q polymerase variant | | Descriptor: | DNA POLYMERASE, SODIUM ION, SULFATE ION | | Authors: | Firbank, S.J, Wardle, J, Heslop, P, Lewis, R.J, Connolly, B.A. | | Deposit date: | 2008-06-26 | | Release date: | 2008-07-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Uracil Recognition in Archaeal DNA Polymerases Captured by X-Ray Crystallography.
J.Mol.Biol., 381, 2008
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2W5G
 | | RNASE A-5'-ATP COMPLEX | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, RIBONUCLEASE PANCREATIC | | Authors: | Chavali, G.B, Holloway, D.E, Baker, M.D, Acharya, K.R. | | Deposit date: | 2008-12-10 | | Release date: | 2009-02-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Influence of Naturally-Occurring 5'-Pyrophosphate- Linked Substituents on the Binding of Adenylic Inhibitors to Ribonuclease A: An X-Ray Crystallographic Study.
Biopolymers, 91, 2009
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2WFU
 | | Crystal structure of DILP5 variant DB | | Descriptor: | PROBABLE INSULIN-LIKE PEPTIDE 5 A CHAIN, PROBABLE INSULIN-LIKE PEPTIDE 5 B CHAIN | | Authors: | Kulahin, N, Schluckebier, G, Sajid, W, De Meyts, P. | | Deposit date: | 2009-04-15 | | Release date: | 2010-05-26 | | Last modified: | 2012-04-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural and Biological Properties of the Drosophila Insulin-Like Peptide 5 Show Evolutionary Conservation.
J.Biol.Chem., 286, 2011
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