8T0E
| TRPV1 in Nanodisc not bound with lysophosphatidic acid (apo) | Descriptor: | (2R)-3-{[(R)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctadecanoate, SODIUM ION, Transient receptor potential cation channel subfamily V member 1 | Authors: | Arnold, W.R, Cheng, Y. | Deposit date: | 2023-05-31 | Release date: | 2024-05-08 | Last modified: | 2024-09-25 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Structural basis of TRPV1 modulation by endogenous bioactive lipids. Nat.Struct.Mol.Biol., 31, 2024
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7SVP
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4HFV
| Crystal structure of lpg1851 protein from Legionella pneumophila (putative T4SS effector) | Descriptor: | CITRIC ACID, SUCCINIC ACID, Uncharacterized protein | Authors: | Michalska, K, Xu, X, Cui, H, Savchenko, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2012-10-05 | Release date: | 2012-11-07 | Last modified: | 2017-01-04 | Method: | X-RAY DIFFRACTION (1.901 Å) | Cite: | Diverse mechanisms of metaeffector activity in an intracellular bacterial pathogen, Legionella pneumophila. Mol Syst Biol, 12, 2016
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4GSS
| HUMAN GLUTATHIONE S-TRANSFERASE P1-1 Y108F MUTANT | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLUTATHIONE S-TRANSFERASE, S-HEXYLGLUTATHIONE | Authors: | Oakley, A, Rossjohn, J, Parker, M. | Deposit date: | 1997-01-20 | Release date: | 1998-01-28 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Multifunctional role of Tyr 108 in the catalytic mechanism of human glutathione transferase P1-1. Crystallographic and kinetic studies on the Y108F mutant enzyme. Biochemistry, 36, 1997
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6J14
| Complex structure of GY-14 and PD-1 | Descriptor: | GY-14 heavy chain V fragment, GY-14 light chain V fragment, Programmed cell death protein 1 | Authors: | Chen, D, Tan, S, Whang, H, Zhang, H, Chai, Y, Qi, J, Yan, J, Gao, G.F. | Deposit date: | 2018-12-27 | Release date: | 2019-11-06 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | The FG Loop of PD-1 Serves as a "Hotspot" for Therapeutic Monoclonal Antibodies in Tumor Immune Checkpoint Therapy. Iscience, 14, 2019
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7TLN
| STRUCTURAL ANALYSIS OF THE INHIBITION OF THERMOLYSIN BY AN ACTIVE-SITE-DIRECTED IRREVERSIBLE INHIBITOR | Descriptor: | 2-(ACETYL-HYDROXY-AMINO)-4-METHYL-PENTANOIC ACID METHYL ESTER, CALCIUM ION, THERMOLYSIN, ... | Authors: | Matthews, B.W, Holmes, M.A, Tronrud, D.E. | Deposit date: | 1983-01-27 | Release date: | 1983-03-09 | Last modified: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural analysis of the inhibition of thermolysin by an active-site-directed irreversible inhibitor. Biochemistry, 22, 1983
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8TZ0
| Structure of a bacterial E1-E2-Ubl complex (form 1) | Descriptor: | E1(BilD), E2(BilB), Ubl(BilA), ... | Authors: | Ye, Q, Chambers, L.R, Corbett, K.D. | Deposit date: | 2023-08-26 | Release date: | 2024-06-12 | Last modified: | 2024-08-07 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | A eukaryotic-like ubiquitination system in bacterial antiviral defence. Nature, 631, 2024
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7TOG
| Crystal structure of carbohydrate esterase PbeAcXE, apoenzyme | Descriptor: | SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOI
| Crystal structure of carbohydrate esterase PbeAcXE, in complex with acetate | Descriptor: | ACETATE ION, SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.13 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOJ
| Crystal structure of carbohydrate esterase CspAcXE, apoenzyme | Descriptor: | CHLORIDE ION, SGNH/GDSL hydrolase family protein | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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7TOH
| Crystal structure of carbohydrate esterase PbeAcXE, in complex with MeGlcpA-Xylp | Descriptor: | 4-O-methyl-alpha-D-glucopyranuronic acid-(1-2)-beta-D-xylopyranose, SGNH hydrolase | Authors: | Stogios, P.J, Skarina, T, Di Leo, R, Jurak, E, Master, E. | Deposit date: | 2022-01-24 | Release date: | 2022-04-13 | Last modified: | 2022-11-02 | Method: | X-RAY DIFFRACTION (1.26 Å) | Cite: | Elucidating Sequence and Structural Determinants of Carbohydrate Esterases for Complete Deacetylation of Substituted Xylans. Molecules, 27, 2022
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8U27
| Bcl-2-xL complexed with compound 35 | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | Authors: | Rizo, J, Pan, Y.-Z. | Deposit date: | 2023-09-05 | Release date: | 2023-09-13 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2. Commun Biol, 6, 2023
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8TNS
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5U33
| Crystal structure of AacC2c1-sgRNA-extended non-target DNA ternary complex | Descriptor: | CRISPR-associated endonuclease C2c1, Non-target DNA strand, SULFATE ION, ... | Authors: | Yang, H, Gao, P, Rajashankar, K.R, Patel, D.J. | Deposit date: | 2016-12-01 | Release date: | 2017-01-25 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.75 Å) | Cite: | PAM-Dependent Target DNA Recognition and Cleavage by C2c1 CRISPR-Cas Endonuclease. Cell, 167, 2016
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5UCU
| STRUCTURAL AND MECHANISTIC INSIGHTS INTO HEMOGLOBIN-CATALYZED HYDROGEN SULFIDE OXIDATION AND THE FATE OF POLYSULFIDE PRODUCTS | Descriptor: | HYDROSULFURIC ACID, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | Authors: | Vitvitsky, V, Yadav, P.K, An, S, Seravalli, J, Cho, U.-S, Banerjee, R. | Deposit date: | 2016-12-22 | Release date: | 2017-03-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.797 Å) | Cite: | Structural and Mechanistic Insights into Hemoglobin-catalyzed Hydrogen Sulfide Oxidation and the Fate of Polysulfide Products. J. Biol. Chem., 292, 2017
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6JZI
| Structure of hen egg-white lysozyme obtained from SFX experiments under atmospheric pressure | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | Authors: | Nango, E, Sugahara, M, Nakane, T, Tanaka, T, Iwata, S. | Deposit date: | 2019-05-02 | Release date: | 2019-10-30 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | High-viscosity sample-injection device for serial femtosecond crystallography at atmospheric pressure. J.Appl.Crystallogr., 52, 2019
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7UAV
| Structure of Clostridium botulinum prophage Tad1 in apo state | Descriptor: | ABC transporter ATPase | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | Deposit date: | 2022-03-14 | Release date: | 2022-10-05 | Last modified: | 2022-11-23 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence. Nature, 611, 2022
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6K1J
| Human nucleosome core particle with H2A.X variant | Descriptor: | CHLORIDE ION, DNA (145-MER), Histone H2AX, ... | Authors: | Sharma, D, De Falco, L, Davey, C.A. | Deposit date: | 2019-05-10 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | PARP1 exhibits enhanced association and catalytic efficiency with gamma H2A.X-nucleosome. Nat Commun, 10, 2019
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7UAW
| Structure of Clostridium botulinum prophage Tad1 in complex with 1''-2' gcADPR | Descriptor: | (1S,3R,4R,6R,9S,11R,14R,15S,16R,18R)-4-(6-amino-9H-purin-9-yl)-9,11,15,16,18-pentahydroxy-2,5,8,10,12,17-hexaoxa-9lambda~5~,11lambda~5~-diphosphatricyclo[12.2.1.1~3,6~]octadecane-9,11-dione, ABC transporter ATPase | Authors: | Lu, A, Leavitt, A, Yirmiya, E, Amitai, G, Garb, J, Morehouse, B.R, Hobbs, S.J, Sorek, R, Kranzusch, P.J. | Deposit date: | 2022-03-14 | Release date: | 2022-10-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Viruses inhibit TIR gcADPR signalling to overcome bacterial defence. Nature, 611, 2022
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7UF9
| CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-4-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFD
| Human CYP3A4 bound to an inhibitor | Descriptor: | (2S)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFC
| Human CYP3A4 bound to an inhibitor | Descriptor: | (2R)-3-phenyl-2-({(2S)-3-phenyl-2-[3-(pyridin-3-yl)propanamido]propyl}sulfanyl)-N-[2-(pyridin-3-yl)ethyl]propanamide, Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFF
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, N-(2-oxo-2-{[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]amino}ethyl)pyridine-3-carboxamide, PHOSPHATE ION, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFE
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, N-[(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-3-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]pyridine-3-carboxamide, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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7UFA
| CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[3-(pyridin-4-yl)propyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate | Authors: | Sevrioukova, I. | Deposit date: | 2022-03-22 | Release date: | 2022-07-27 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interaction of CYP3A4 with Rationally Designed Ritonavir Analogues: Impact of Steric Constraints Imposed on the Heme-Ligating Group and the End-Pyridine Attachment. Int J Mol Sci, 23, 2022
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