6Y7Y
 
 | | Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha | | Descriptor: | (2-azanyl-2-adamantyl)methanol, 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE, 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide, ... | | Authors: | De Nicola, G.F, Nichols, C.E. | | Deposit date: | 2020-03-02 | | Release date: | 2020-03-11 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
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3MFL
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5JTA
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3MGU
 | | Structure of S. cerevisiae Tpa1 protein, a proline hydroxylase modifying ribosomal protein Rps23 | | Descriptor: | FE (II) ION, PKHD-type hydroxylase TPA1 | | Authors: | Henri, J, Rispal, D, Bayart, E, van Tilbeurgh, H, Seraphin, B, Graille, M. | | Deposit date: | 2010-04-07 | | Release date: | 2010-07-14 | | Last modified: | 2018-01-03 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional insights into S. cerevisiae Tpa1, a putative prolyl hydroxylase influencing translation termination and transcription
To be Published
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7JFL
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1EO9
 | | CRYSTAL STRUCTURE OF ACINETOBACTER SP. ADP1 PROTOCATECHUATE 3,4-DIOXYGENASE AT PH < 7.0 | | Descriptor: | FE (III) ION, PROTOCATECHUATE 3,4-DIOXYGENASE ALPHA CHAIN, PROTOCATECHUATE 3,4-DIOXYGENASE BETA CHAIN;, ... | | Authors: | Vetting, M.W, D'Argenio, D.A, Ornston, L.N, Ohlendorf, D.H. | | Deposit date: | 2000-03-22 | | Release date: | 2000-08-09 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of Acinetobacter strain ADP1 protocatechuate 3, 4-dioxygenase at 2.2 A resolution: implications for the mechanism of an intradiol dioxygenase.
Biochemistry, 39, 2000
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2XHC
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7JG2
 | | Secretory Immunoglobin A (SIgA) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Igh protein, ... | | Authors: | Kumar Bharathkar, S, Parker, B.P, Malyutin, A.G, Stadtmueller, B.M. | | Deposit date: | 2020-07-18 | | Release date: | 2020-11-11 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | The structures of Secretory and dimeric Immunoglobulin A.
Elife, 9, 2020
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3M02
 | | The Crystal Structure of 5-epi-aristolochene synthase complexed with (2-cis,6-trans)-2-fluorofarnesyl diphosphate | | Descriptor: | (2E,6E)-2-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl trihydrogen diphosphate, Aristolochene synthase, MAGNESIUM ION | | Authors: | Noel, J.P, Dellas, N, Faraldos, J.A, Zhao, M, Hess Jr, B.A, Smentek, L, Coates, R.M, O'Maille, P.E. | | Deposit date: | 2010-03-02 | | Release date: | 2010-07-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural elucidation of cisoid and transoid cyclization pathways of a sesquiterpene synthase using 2-fluorofarnesyl diphosphates.
Acs Chem.Biol., 5, 2010
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3MID
 | | Oxidized (Cu2+) peptidylglycine alpha-hydroxylating monooxygenase (PHM) with bound azide obtained by soaking (100mM NaN3) | | Descriptor: | AZIDE ION, COPPER (II) ION, GLYCEROL, ... | | Authors: | Chufan, E.E, Eipper, B.A, Mains, R.E, Amzel, L.M. | | Deposit date: | 2010-04-10 | | Release date: | 2010-11-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (3.06 Å) | | Cite: | Differential Reactivity Between the Two Copper Sites of Peptidylglycine alpha-Hydroxylating Monooxygenase (PHM)
J.Am.Chem.Soc., 132, 2010
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7U5O
 | | CRYSTAL STRUCTURE OF THE BONE MORPHOGENETIC PROTEIN RECEPTOR TYPE 2 LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-B | | Descriptor: | Bone morphogenetic protein receptor type-2, Inhibin beta B chain | | Authors: | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | | Deposit date: | 2022-03-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.45 Å) | | Cite: | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition.
J.Biol.Chem., 298, 2022
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3M0V
 | | Crystal structure of Pseudomonas stutzeri L-rhamnose isomerase mutant S329L in complex with L-rhamnose | | Descriptor: | L-RHAMNOSE, L-rhamnose isomerase, MANGANESE (II) ION | | Authors: | Yoshida, H, Takeda, K, Izumori, K, Kamitori, S. | | Deposit date: | 2010-03-03 | | Release date: | 2010-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Elucidation of the role of Ser329 and the C-terminal region in the catalytic activity of Pseudomonas stutzeri L-rhamnose isomerase
Protein Eng.Des.Sel., 23, 2010
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3MJM
 | | His257Ala mutant of dihydroorotase from E. coli | | Descriptor: | (4S)-2,6-DIOXOHEXAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, Dihydroorotase, N-CARBAMOYL-L-ASPARTATE, ... | | Authors: | Ernberg, K.E, Guss, J.M, Lee, M, Maher, M.J. | | Deposit date: | 2010-04-13 | | Release date: | 2011-03-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | His257Ala mutant of dihydroorotase from E. coli
To be Published
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7U5P
 | | CRYSTAL STRUCTURE OF THE ACTIVIN RECEPTOR TYPE-2A LIGAND BINDING DOMAIN IN COMPLEX WITH ACTIVIN-A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Activin receptor type-2A, Inhibin beta A chain | | Authors: | Chu, K.Y, Malik, A, Thamilselvan, V, Martinez-Hackert, E. | | Deposit date: | 2022-03-02 | | Release date: | 2022-06-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.14 Å) | | Cite: | Type II BMP and activin receptors BMPR2 and ACVR2A share a conserved mode of growth factor recognition.
J.Biol.Chem., 298, 2022
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3M1L
 | | Crystal structure of a C-terminal trunacted mutant of a putative ketoacyl reductase (FabG4) from Mycobacterium tuberculosis H37Rv at 2.5 Angstrom resolution | | Descriptor: | 3-oxoacyl-(Acyl-carrier-protein) reductase, ACETATE ION | | Authors: | Dutta, D, Bhattacharyya, S, Saha, B, Das, A.K. | | Deposit date: | 2010-03-05 | | Release date: | 2010-12-22 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.52 Å) | | Cite: | Crystal structure of FabG4 from Mycobacterium tuberculosis reveals the importance of C-terminal residues in ketoreductase activity
J.Struct.Biol., 174, 2011
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7T2Z
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5JLC
 | | Structure of CYP51 from the pathogen Candida glabrata | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2016-04-26 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
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7T33
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7TB7
 | | Crystal structure of D179N KPC-2 beta-lactamase | | Descriptor: | CITRIC ACID, Carbapenem-hydrolyzing beta-lactamase KPC | | Authors: | van den Akker, F, Alsenani, T. | | Deposit date: | 2021-12-21 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (0.99 Å) | | Cite: | Structural Characterization of the D179N and D179Y Variants of KPC-2 beta-Lactamase: Omega-Loop Destabilization as a Mechanism of Resistance to Ceftazidime-Avibactam.
Antimicrob.Agents Chemother., 66, 2022
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3MOO
 | | Crystal structure of the HmuO, heme oxygenase from Corynebacterium diphtheriae, in complex with azide-bound verdoheme | | Descriptor: | 5-OXA-PROTOPORPHYRIN IX CONTAINING FE, AZIDE ION, Heme oxygenase, ... | | Authors: | Omori, K, Matsui, T, Unno, M, Ikeda-Saito, M. | | Deposit date: | 2010-04-22 | | Release date: | 2011-03-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Enzymatic ring-opening mechanism of verdoheme by the heme oxygenase: a combined X-ray crystallography and QM/MM study.
J.Am.Chem.Soc., 132, 2010
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5J33
 | | Isopropylmalate dehydrogenase in complex with NAD+ | | Descriptor: | 3-isopropylmalate dehydrogenase 2, chloroplastic, MAGNESIUM ION, ... | | Authors: | Jez, J.M, Lee, S.G. | | Deposit date: | 2016-03-30 | | Release date: | 2016-05-18 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.492 Å) | | Cite: | Structure and Mechanism of Isopropylmalate Dehydrogenase from Arabidopsis thaliana: INSIGHTS ON LEUCINE AND ALIPHATIC GLUCOSINOLATE BIOSYNTHESIS.
J.Biol.Chem., 291, 2016
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7JH0
 | | Crystallographic structure of glyceraldehyde-3-phosphate dehydrogenase from Schistosoma mansoni | | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Boreiko, S, Silva, M, Iulek, J. | | Deposit date: | 2020-07-20 | | Release date: | 2021-02-17 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structure determination and analyses of the GAPDH from the parasite Schistosoma mansoni, the first one from a platyhelminth.
Biochimie, 184, 2021
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7T6C
 | | E. coli dihydroorotate dehydrogenase bound to the ubiquinone surrogate DCIP | | Descriptor: | 2,6-bis(chloranyl)-4-[(4-hydroxyphenyl)amino]phenol, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Dihydroorotate dehydrogenase (quinone), ... | | Authors: | Horwitz, S.M, Ambarian, J.A, Davis, K.M. | | Deposit date: | 2021-12-13 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.53 Å) | | Cite: | Structural insights into inhibition of the drug target dihydroorotate dehydrogenase by bacterial hydroxyalkylquinolines.
Rsc Chem Biol, 3, 2022
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8UMY
 | | Atomic model of the human CTF18-RFC-PCNA-DNA ternary complex with narrow PCNA opening state II (state 6) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Chromosome transmission fidelity protein 18 homolog, DNA (20-MER), ... | | Authors: | Wang, F, He, Q, Li, H. | | Deposit date: | 2023-10-18 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (2.83 Å) | | Cite: | Cryo-EM reveals a nearly complete PCNA loading process and unique features of the human alternative clamp loader CTF18-RFC.
Proc.Natl.Acad.Sci.USA, 121, 2024
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3MAR
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