7JOC
 
 | | Carbonic Anhydrase IX Mimic Complexed with N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)adamantanecarboxamide | | Descriptor: | (3S,5S,7S)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Carbonic anhydrase 2, GLYCEROL, ... | | Authors: | Andring, J.T, McKenna, R. | | Deposit date: | 2020-08-06 | | Release date: | 2020-11-04 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.385 Å) | | Cite: | Structural Basis of Nanomolar Inhibition of Tumor-Associated Carbonic Anhydrase IX: X-Ray Crystallographic and Inhibition Study of Lipophilic Inhibitors with Acetazolamide Backbone.
J.Med.Chem., 63, 2020
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6N6M
 | | Crystal Structure of ATPase delta1-79 Spa47 R189A | | Descriptor: | ATP synthase SpaL/MxiB, SULFATE ION | | Authors: | Morales, Y, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-26 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.788 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6N70
 | | Crystal Structure of ATPase delta1-79 Spa47 R191A | | Descriptor: | ATP synthase SpaL/MxiB | | Authors: | Morales, Y, Olsen, K.J, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.738 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6MO4
 | | Co-Crystal structure of P. aeruginosa LpxC-50067 complex | | Descriptor: | MAGNESIUM ION, N-[(2R)-1-(hydroxyamino)-3-methyl-3-(methylsulfonyl)-1-oxobutan-2-yl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase | | Authors: | Stein, A.J, Assar, Z, Holt, M.C, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.844 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6MOD
 | | Co-Crystal structure of P. aeruginosa LpxC-50432 complex | | Descriptor: | GLYCEROL, MAGNESIUM ION, N-[(1S)-2-(hydroxyamino)-1-(3-methoxy-1,1-dioxo-1lambda~6~-thietan-3-yl)-2-oxoethyl]-4-(6-hydroxyhexa-1,3-diyn-1-yl)benzamide, ... | | Authors: | Stein, A.J, Holt, M.C, Assar, Z, Cohen, F, Andrews, L, Cirz, R. | | Deposit date: | 2018-10-04 | | Release date: | 2019-07-17 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Optimization of LpxC Inhibitors for Antibacterial Activity and Cardiovascular Safety.
Chemmedchem, 14, 2019
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6G2G
 | | Fe-S assembly Cfd1 | | Descriptor: | Cytosolic Fe-S cluster assembly factor CFD1, IRON/SULFUR CLUSTER, SULFATE ION | | Authors: | Jeoung, J.H, Dobbek, H. | | Deposit date: | 2018-03-23 | | Release date: | 2019-01-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Function and crystal structure of the dimeric P-loop ATPase CFD1 coordinating an exposed [4Fe-4S] cluster for transfer to apoproteins.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6N0P
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6N5F
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 3 | | Descriptor: | Epoxide hydrolase TrEH, N-(8-amino-8-oxooctyl)nonanamide | | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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6N1L
 | | The complement inhibitory domain of B. burgdorferi BBK32. | | Descriptor: | Fibronectin-binding protein BBK32 | | Authors: | Garcia, B.L. | | Deposit date: | 2018-11-09 | | Release date: | 2019-03-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.722 Å) | | Cite: | Structural determination of the complement inhibitory domain of Borrelia burgdorferi BBK32 provides insight into classical pathway complement evasion by lyme disease spirochetes.
PLoS Pathog., 15, 2019
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6N5G
 | | Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 2 | | Descriptor: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide, Epoxide hydrolase TrEH | | Authors: | Oliveira, G.S, Adriani, P.P, Ribeiro, J.A, Morisseau, C, Hammock, B.D, Dias, M.V, Chambergo, F.S. | | Deposit date: | 2018-11-21 | | Release date: | 2019-11-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.
Int. J. Biol. Macromol., 129, 2019
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7KM6
 | | APOBEC3B antibody 5G7 Fv-clasp | | Descriptor: | 1,2-ETHANEDIOL, 5G7 human monoclonal FAB heavy chain, 5G7 human monoclonal FAB light chain, ... | | Authors: | Tang, H, Shi, K, Aihara, H. | | Deposit date: | 2020-11-02 | | Release date: | 2021-05-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Structural Characterization of a Minimal Antibody against Human APOBEC3B.
Viruses, 13, 2021
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7KHT
 | | The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor Steroidogenic Factor-1 (SF-1) | | Descriptor: | (2S)-3-{[(S)-{[(1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonooxy)cyclohexyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl (9E,9'E)di-octadec-9-enoate, Peroxisome proliferator-activated receptor gamma coactivator 1-alpha peptide, Steroidogenic factor 1 | | Authors: | Blind, R.D. | | Deposit date: | 2020-10-22 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | The acyl chains of phosphoinositide PIP3 alter the structure and function of nuclear receptor steroidogenic factor-1.
J.Lipid Res., 62, 2021
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7KR6
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7KQ1
 | | PCNA bound to truncated peptide mimetic | | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-PHE-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | | Authors: | Vandborg, B.A, Bruning, J.B. | | Deposit date: | 2020-11-13 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
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7KQ0
 | | PCNA bound to peptide mimetic | | Descriptor: | LYS-ARG-ARG-GLN-THR-SER-MET-THR-ASP-TYR-TYR-HIS-SER-LYS-ARG, Proliferating cell nuclear antigen | | Authors: | Vandborg, B.A, Bruning, J.B. | | Deposit date: | 2020-11-13 | | Release date: | 2021-05-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Unlocking the PIP-box: A peptide library reveals interactions that drive high-affinity binding to human PCNA.
J.Biol.Chem., 296, 2021
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6NIP
 | | Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ1 in complex with ZIKV E glycoprotein | | Descriptor: | Envelope protein E, MZ1 Heavy chain, MZ1 Light Chain | | Authors: | Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G. | | Deposit date: | 2018-12-31 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (4.16 Å) | | Cite: | Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
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7L0E
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7LY9
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2PU2
 | | AmpC beta-lactamase with bound Phthalamide inhibitor | | Descriptor: | 2-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID, Beta-lactamase, PHOSPHATE ION | | Authors: | Babaoglu, K, Shoichet, B.K. | | Deposit date: | 2007-05-08 | | Release date: | 2008-04-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | Comprehensive mechanistic analysis of hits from high-throughput and docking screens against beta-lactamase.
J.Med.Chem., 51, 2008
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6E55
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6E2B
 | | Ubiquitin in complex with Pt(2-phenilpyridine)(PPh3) | | Descriptor: | GLYCEROL, SULFATE ION, Ubiquitin, ... | | Authors: | Zhemkov, V.A, Kim, M. | | Deposit date: | 2018-07-11 | | Release date: | 2018-11-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Reactions of Cyclometalated Platinum(II) [Pt(N∧C)(PR3)Cl] Complexes with Imidazole and Imidazole-Containing Biomolecules: Fine-Tuning of Reactivity and Photophysical Properties via Ligand Design.
Inorg Chem, 58, 2019
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6N75
 | | Crystal Structure of ATPase delta1-79 Spa47 E287A | | Descriptor: | ATP synthase SpaL/MxiB | | Authors: | Morales, Y, Olsen, K.J, Johnson, S.J, Demler, H.J, Dickenson, N.E. | | Deposit date: | 2018-11-27 | | Release date: | 2019-06-19 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.991 Å) | | Cite: | Interfacial amino acids support Spa47 oligomerization and shigella type three secretion system activation.
Proteins, 87, 2019
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6GG5
 | | Crystal structure of M2 PYK in complex with Tryptophan. | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, Pyruvate kinase PKM, ... | | Authors: | McNae, I.W, Yuan, M, Walkinshaw, M.D. | | Deposit date: | 2018-05-02 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | An allostatic mechanism for M2 pyruvate kinase as an amino-acid sensor.
Biochem. J., 475, 2018
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6GIZ
 | | PURPLE ACID PHYTASE FROM WHEAT ISOFORM B2 - SUBSTRATE COMPLEX | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Faba-Rodriguez, R, Brearley, C.A, Hemmings, A.M. | | Deposit date: | 2018-05-15 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure of a cereal purple acid phytase provides new insights to phytate degradation in plants.
Plant Commun., 3, 2022
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2PU4
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