7WJK
 
 | | Complex structure of AtHPPD-ZWJ | | Descriptor: | 3-[2-[4-[[4-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]phenoxy]methyl]-1,2,3-triazol-1-yl]ethyl]-1,5-dimethyl-6-[(1S)-2-oxidanyl-6-oxidanylidene-cyclohex-2-en-1-yl]carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION | | Authors: | Yang, G.-F, Lin, H.-Y, Dong, J. | | Deposit date: | 2022-01-06 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.704 Å) | | Cite: | Complex structure of AtHPPD-PyQ1
To Be Published
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8GKR
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8GML
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8DML
 | | Vibrio parahaemolyticus VtrA/VtrC complex bound to the bile salt chenodeoxycholate | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CHENODEOXYCHOLIC ACID, ... | | Authors: | Tomchick, D.R, Orth, K, Zou, A.J. | | Deposit date: | 2022-07-08 | | Release date: | 2023-06-14 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Molecular determinants for differential activation of the bile acid receptor from the pathogen Vibrio parahaemolyticus.
J.Biol.Chem., 299, 2023
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8GT0
 | | Structure of falcipain and human Stefin A complex | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, CHLORIDE ION, ... | | Authors: | Chakraborty, S, Biswas, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structure of falcipain and human Stefin A complex
To Be Published
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5QCD
 | | Crystal structure of human Cathepsin-S with bound ligand | | Descriptor: | Cathepsin S, SULFATE ION, {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone | | Authors: | Bembenek, S.D, Ameriks, M.K, Mirzadegan, T, Yang, H, Shao, C, Burley, S.K. | | Deposit date: | 2017-08-04 | | Release date: | 2017-12-20 | | Last modified: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Crystal structure of human Cathepsin-S with bound ligand
To be published
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8GT7
 | | Structure of falcipain and human Stefin A mutant complex | | Descriptor: | 1,2-ETHANEDIOL, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Cystatin-A, ... | | Authors: | Chakraborty, S, Biswas, S. | | Deposit date: | 2022-09-07 | | Release date: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.28 Å) | | Cite: | Structure of falcipain and human Stefin A complex
To Be Published
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8V4P
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8UQO
 | | PLCb3-Gbg-Gaq complex on membranes | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Falzone, M.E, MacKinnon, R. | | Deposit date: | 2023-10-24 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.37 Å) | | Cite: | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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5SVJ
 | | Crystal structure of the ATP-gated human P2X3 ion channel in the closed, apo state | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, MAGNESIUM ION, ... | | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | | Deposit date: | 2016-08-06 | | Release date: | 2016-09-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.984 Å) | | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action.
Nature, 538, 2016
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3K16
 | | Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus | | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | | Deposit date: | 2009-09-25 | | Release date: | 2010-03-02 | | Last modified: | 2021-10-13 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
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8UQN
 | | PLCb3-Gaq complex on membranes | | Descriptor: | 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase beta-3, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Falzone, M.E, MacKinnon, R. | | Deposit date: | 2023-10-24 | | Release date: | 2023-12-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | The mechanism of G alpha q regulation of PLC beta 3 -catalyzed PIP2 hydrolysis.
Proc.Natl.Acad.Sci.USA, 120, 2023
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8DMG
 | | CYP102A1 in Closed Conformation | | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional cytochrome P450/NADPH--P450 reductase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Su, M, Xu, H. | | Deposit date: | 2022-07-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (4.4 Å) | | Cite: | Insight into the conformational dynamics of cytochrome P450 CYP102A1 enzyme using Cryo-EM
To Be Published
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8DME
 | | CYP102A1 in Open Conformation | | Descriptor: | 6-methoxy-2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-benzimidazole, Bifunctional cytochrome P450/NADPH--P450 reductase, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Su, M, Xu, H. | | Deposit date: | 2022-07-08 | | Release date: | 2023-07-19 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (6.5 Å) | | Cite: | Insight into the conformational dynamics of cytochrome P450 CYP102A1 enzyme using Cryo-EM
To Be Published
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6VCL
 | | Crystal structure of E.coli RppH-DapF in complex with pppGpp, Mg2+ and F- | | Descriptor: | CHLORIDE ION, Diaminopimelate epimerase, FLUORIDE ION, ... | | Authors: | Gao, A, Vasilyev, N, Kaushik, A, Duan, W, Serganov, A. | | Deposit date: | 2019-12-21 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Principles of RNA and nucleotide discrimination by the RNA processing enzyme RppH.
Nucleic Acids Res., 48, 2020
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6VD0
 | | Crystal structure of Arabidopsis thaliana S-adenosylmethionine Synthase 2 (AtMAT2) in complex with free Methionine and AMPCPP | | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, DI(HYDROXYETHYL)ETHER, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ... | | Authors: | Sekula, B, Ruszkowski, M, Dauter, Z. | | Deposit date: | 2019-12-23 | | Release date: | 2020-02-26 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | S-adenosylmethionine synthases in plants: Structural characterization of type I and II isoenzymes from Arabidopsis thaliana and Medicago truncatula.
Int.J.Biol.Macromol., 151, 2020
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8DSV
 | | The structure of NicA2 in complex with N-methylmyosmine | | Descriptor: | DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FAD-dependent oxidoreductase, ... | | Authors: | Wu, K, Dulchavsky, M, Li, J, Bardwell, J.C.A. | | Deposit date: | 2022-07-22 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Directed evolution unlocks oxygen reactivity for a nicotine-degrading flavoenzyme.
Nat.Chem.Biol., 19, 2023
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4YK5
 | | Crystal Structures of mPGES-1 Inhibitor Complexes | | Descriptor: | 2-(2-METHOXYETHOXY)ETHANOL, 3-[1-(4-chlorobenzyl)-5-(2-fluoro-2'-methylbiphenyl-4-yl)-3-methyl-1H-indol-2-yl]-2,2-dimethylpropanoic acid, GLUTATHIONE, ... | | Authors: | Luz, J.G, Antonysamy, S, Kuklish, S.L, Fisher, M.J. | | Deposit date: | 2015-03-04 | | Release date: | 2015-07-15 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal Structures of mPGES-1 Inhibitor Complexes Form a Basis for the Rational Design of Potent Analgesic and Anti-Inflammatory Therapeutics.
J.Med.Chem., 58, 2015
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2ZJK
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6UJ8
 | | Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide | | Descriptor: | Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ... | | Authors: | Miller, M.S, Thirawatananond, P, Gabelli, S.B. | | Deposit date: | 2019-10-02 | | Release date: | 2021-05-05 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
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4Z8K
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6O9E
 | | Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | | Descriptor: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | | Deposit date: | 2019-03-13 | | Release date: | 2019-10-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1.
J.Med.Chem., 62, 2019
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4Z4R
 | | Crystal structure of GII.10 P domain in complex with 300mM fucose | | Descriptor: | 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose | | Authors: | Koromyslova, A.D, Leuthold, M.M, Hansman, G.S. | | Deposit date: | 2015-04-02 | | Release date: | 2015-05-27 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.801 Å) | | Cite: | The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
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6NLK
 | | 1.85 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 13) | | Descriptor: | 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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3K0K
 | | Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus. | | Descriptor: | Breast cancer type 1 susceptibility protein, CHLORIDE ION, NICKEL (II) ION, ... | | Authors: | Campbell, S.J, Edwards, R.A, Glover, J.N. | | Deposit date: | 2009-09-24 | | Release date: | 2010-03-02 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Comparison of the Structures and Peptide Binding Specificities of the BRCT Domains of MDC1 and BRCA1
Structure, 18, 2010
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