5K5B
 
 | | Wild-type PAS-GAF fragment from Deinococcus radiodurans BphP | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-1-ium -2-ylidene]methyl]-5-[(Z)-[(3E)-3-ethylidene-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3- yl]propanoic acid, ACETATE ION, ... | | Authors: | Takala, H, Edlund, P, Claesson, E, Ihalainen, J.A, Westenhoff, S. | | Deposit date: | 2016-05-23 | | Release date: | 2016-10-26 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | The room temperature crystal structure of a bacterial phytochrome determined by serial femtosecond crystallography.
Sci Rep, 6, 2016
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8TH2
 | | Structure of the isoflavene-forming dirigent protein PsPTS2 | | Descriptor: | Dirigent protein | | Authors: | Smith, C.A, Meng, Q, Lewis, N.G, Davin, L.B. | | Deposit date: | 2023-07-13 | | Release date: | 2024-01-31 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Dirigent isoflavene-forming PsPTS2: 3D structure, stereochemical, and kinetic characterization comparison with pterocarpan-forming PsPTS1 homolog in pea.
J.Biol.Chem., 300, 2024
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7UX8
 | | Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH and L-Tyrosine bound at 1.4 A resolution (P212121 - form II) | | Descriptor: | MfnG, S-ADENOSYL-L-HOMOCYSTEINE, TYROSINE, ... | | Authors: | Miller, M.D, Wu, K.-L, Xu, W, Xiao, H, Philips Jr, G.N. | | Deposit date: | 2022-05-05 | | Release date: | 2022-09-28 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Expanding the eukaryotic genetic code with a biosynthesized 21st amino acid.
Protein Sci., 31, 2022
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1BPT
 | | CREVICE-FORMING MUTANTS OF BPTI: CRYSTAL STRUCTURES OF F22A, Y23A, N43G, AND F45A | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, PHOSPHATE ION | | Authors: | Housset, D, Wlodawer, A, Tao, F, Fuchs, J, Woodward, C. | | Deposit date: | 1991-12-11 | | Release date: | 1993-01-15 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crevice-forming mutants in the rigid core of bovine pancreatic trypsin inhibitor: crystal structures of F22A, Y23A, N43G, and F45A.
Protein Sci., 2, 1993
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7UX7
 | | Crystal structure of MfnG, an L- and D-tyrosine O-methyltransferase from the marformycin biosynthesis pathway of Streptomyces drozdowiczii, with SAH bound at 1.2 A resolution (P212121 - form II) | | Descriptor: | MfnG, S-ADENOSYL-L-HOMOCYSTEINE, UNKNOWN LIGAND | | Authors: | Miller, M.D, Wu, K.-L, Xu, W, Xiao, H, Philips Jr, G.N. | | Deposit date: | 2022-05-05 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Expanding the eukaryotic genetic code with a biosynthesized 21st amino acid.
Protein Sci., 31, 2022
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4RYG
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8QQ4
 | | LTA4 hydrolase in complex with compound 6(R) | | Descriptor: | (2R)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2023-10-03 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
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4RYC
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6OBX
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6AWH
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ATP and pantothenate analog Deoxy-MeO-N5Pan | | Descriptor: | (2R)-2-hydroxy-N-{3-[(5-methoxypentyl)amino]-3-oxopropyl}-3,3-dimethylbutanamide, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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2GJL
 | | Crystal Structure of 2-nitropropane dioxygenase | | Descriptor: | FLAVIN MONONUCLEOTIDE, hypothetical protein PA1024 | | Authors: | Suh, S.W. | | Deposit date: | 2006-03-31 | | Release date: | 2006-05-16 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal Structure of 2-Nitropropane Dioxygenase Complexed with FMN and Substrate: identification of the catalytic base
J.Biol.Chem., 281, 2006
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6ODL
 | | Crystal structure of GluN2A agonist binding domain with 4-butyl-(S)-CCG-IV | | Descriptor: | (1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid, Glutamate receptor ionotropic, NMDA 2A,Glutamate receptor ionotropic, ... | | Authors: | Mou, T.C, Clausen, R.P, Sprang, S.R, Hansen, K.B. | | Deposit date: | 2019-03-26 | | Release date: | 2020-04-01 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Stereoselective synthesis of novel 2'-(S)-CCG-IV analogues as potent NMDA receptor agonists.
Eur.J.Med.Chem., 212, 2021
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6OCN
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6AVP
 | | Staphylococcus aureus Type II pantothenate kinase in complex with ADP and pantothenate analog Phosphate-MeO-N5Pan | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-(5-methoxypentyl)-beta-alaninamide, ... | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-04 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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6AWG
 | | Staphylococcus aureus Type II pantothenate kinase in complex with nucleotides and pantothenate analog Deoxy-N190Pan | | Descriptor: | (2R)-N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-3-oxopropyl)-2-hydroxy-3,3-dimethylbutanamide, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Chen, Y, Antoshchenko, T, Strauss, E, Barnard, L, Huang, Y.H. | | Deposit date: | 2017-09-05 | | Release date: | 2018-09-12 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure-based identification of uncompetitive inhibitors for Staphylococcus aureus pantothenate kinase.
To Be Published
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4U6Q
 | | CtBP1 bound to inhibitor 2-(hydroxyimino)-3-phenylpropanoic acid | | Descriptor: | (2E)-2-(hydroxyimino)-3-phenylpropanoic acid, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, C-terminal-binding protein 1, ... | | Authors: | Hilbert, B.J, Morris, B.L, Ellis, K.C, Paulsen, J.L, Schiffer, C.A, Grossman, S.R, Royer Jr, W.E. | | Deposit date: | 2014-07-29 | | Release date: | 2015-02-11 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure-Guided Design of a High Affinity Inhibitor to Human CtBP.
Acs Chem.Biol., 10, 2015
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4U89
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2KAI
 | | REFINED 2.5 ANGSTROMS X-RAY CRYSTAL STRUCTURE OF THE COMPLEX FORMED BY PORCINE KALLIKREIN A AND THE BOVINE PANCREATIC TRYPSIN INHIBITOR. CRYSTALLIZATION, PATTERSON SEARCH, STRUCTURE DETERMINATION, REFINEMENT, STRUCTURE AND COMPARISON WITH ITS COMPONENTS AND WITH THE BOVINE TRYPSIN-PANCREATIC TRYPSIN INHIBITOR COMPLEX | | Descriptor: | BOVINE PANCREATIC TRYPSIN INHIBITOR, KALLIKREIN A | | Authors: | Bode, W, Chen, Z. | | Deposit date: | 1984-05-21 | | Release date: | 1984-07-19 | | Last modified: | 2024-06-05 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Refined 2.5 A X-ray crystal structure of the complex formed by porcine kallikrein A and the bovine pancreatic trypsin inhibitor. Crystallization, Patterson search, structure determination, refinement, structure and comparison with its components and with the bovine trypsin-pancreatic trypsin inhibitor complex
J.Mol.Biol., 164, 1983
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3CI7
 | | Crystal structure of a simplified BPTI containing 20 alanines | | Descriptor: | SULFATE ION, bovine pancreatic trypsin inhibitor | | Authors: | Islam, M.M, Sohya, S, Noguchi, K, Yohda, M, Kuroda, Y. | | Deposit date: | 2008-03-11 | | Release date: | 2008-10-21 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Crystal structure of an extensively simplified variant of bovine pancreatic trypsin inhibitor in which over one-third of the residues are alanines
Proc.Natl.Acad.Sci.Usa, 105, 2008
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6ONY
 | | BRD2_Bromodomain1 complex with inhibitor 744 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 2, N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide | | Authors: | Longenecker, K.L, Bigelow, L. | | Deposit date: | 2019-04-22 | | Release date: | 2020-01-29 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Selective inhibition of the BD2 bromodomain of BET proteins in prostate cancer.
Nature, 578, 2020
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8QPN
 | | LTA4 hydrolase in complex with compound 6(S) | | Descriptor: | (2S)-2-azanyl-3-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]propan-1-ol, ACETATE ION, IMIDAZOLE, ... | | Authors: | Srinivas, H. | | Deposit date: | 2023-10-02 | | Release date: | 2023-12-06 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase.
J.Med.Chem., 66, 2023
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7ZTZ
 | | Crystal structure of mutant AR-LBD (Y764C) bound to dihydrotestosterone | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
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7ZTV
 | | Crystal structure of mutant AR-LBD (F755L) bound to dihydrotestosterone | | Descriptor: | 1,2-ETHANEDIOL, 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor | | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
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7ZTX
 | | Crystal structure of mutant AR-LBD (F755V) bound to dihydrotestosterone | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE, ... | | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
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7ZU2
 | | Crystal structure of mutant AR-LBD (Q799E) bound to dihydrotestosterone | | Descriptor: | 5-ALPHA-DIHYDROTESTOSTERONE, Androgen receptor, IMIDAZOLE | | Authors: | Alegre-Marti, A, Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. | | Deposit date: | 2022-05-11 | | Release date: | 2023-03-22 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | A hotspot for posttranslational modifications on the androgen receptor dimer interface drives pathology and anti-androgen resistance.
Sci Adv, 9, 2023
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