6O8O
 
 | | Crystal Structure of C9S disulfide state of Sulfide-responsive transcriptional repressor (SqrR) from Rhodobacter capsulatus. | | Descriptor: | CHLORIDE ION, SULFATE ION, Transcriptional regulator, ... | | Authors: | Capdevila, D.A, Gonzalez-Gutierrez, G, Giedroc, D.P. | | Deposit date: | 2019-03-11 | | Release date: | 2020-04-01 | | Last modified: | 2020-12-30 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for persulfide-sensing specificity in a transcriptional regulator.
Nat.Chem.Biol., 17, 2021
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8OQG
 | | Cross-linked crystal of dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (high temperature data collection) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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6RQF
 | | 3.6 Angstrom cryo-EM structure of the dimeric cytochrome b6f complex from Spinacia oleracea with natively bound thylakoid lipids and plastoquinone molecules | | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, ... | | Authors: | Malone, L.A, Qian, P, Mayneord, G.E, Hitchcock, A, Farmer, D, Thompson, R, Swainsbury, D.J.K, Ranson, N, Hunter, C.N, Johnson, M.P. | | Deposit date: | 2019-05-15 | | Release date: | 2019-11-13 | | Last modified: | 2019-12-04 | | Method: | ELECTRON MICROSCOPY (3.58 Å) | | Cite: | Cryo-EM structure of the spinach cytochrome b6f complex at 3.6 angstrom resolution.
Nature, 575, 2019
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7RWH
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ... | | Authors: | Jin, L, Padyana, A.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.17 Å) | | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
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6OT9
 | | Bimetallic dodecameric cage design 1 (BMC1) from cytochrome cb562 | | Descriptor: | ACETOHYDROXAMIC ACID, FE (III) ION, HEME C, ... | | Authors: | Golub, E, Esselborn, J, Bailey, J.B, Tezcan, F.A. | | Deposit date: | 2019-05-02 | | Release date: | 2020-01-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Constructing protein polyhedra via orthogonal chemical interactions.
Nature, 578, 2020
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6U65
 | | Mcl-1 bound to compound 19 | | Descriptor: | 1,2-ETHANEDIOL, 2-[({4-[(4-fluorophenyl)methyl]piperazin-1-yl}sulfonyl)amino]-5-[(2-phenylethyl)sulfanyl]benzoic acid, ACETATE ION, ... | | Authors: | Stuckey, J.A. | | Deposit date: | 2019-08-29 | | Release date: | 2020-03-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Discovery and Characterization of 2,5-Substituted Benzoic Acid Dual Inhibitors of the Anti-apoptotic Mcl-1 and Bfl-1 Proteins.
J.Med.Chem., 63, 2020
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6OAK
 | | Structure of human PARG complexed with JA2131 | | Descriptor: | (8S)-1,3-dimethyl-8-{[2-(morpholin-4-yl)ethyl]sulfanyl}-6-sulfanylidene-1,3,6,7,8,9-hexahydro-2H-purin-2-one, Poly(ADP-ribose) glycohydrolase | | Authors: | Brosey, C.A, Ahmed, Z, Warden, S, Tainer, J.A. | | Deposit date: | 2019-03-16 | | Release date: | 2020-03-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Selective small molecule PARG inhibitor causes replication fork stalling and cancer cell death.
Nat Commun, 10, 2019
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8X47
 | | Crystal structure of DIMT1 in complex with S-adenosyl-L-homocysteine (SAH) from Pyrococcus horikoshii | | Descriptor: | 1,2-ETHANEDIOL, ARGININE, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Saha, S, Dutta, A, Kanaujia, S.P. | | Deposit date: | 2023-11-15 | | Release date: | 2024-08-28 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structural and functional characterization of archaeal DIMT1 unveils distinct protein dynamics essential for efficient catalysis.
Structure, 2024
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6U6C
 | | Crystal structure of tryptophan synthase from M. tuberculosis - aminoacrylate- and GSK2-bound form | | Descriptor: | 1,2-ETHANEDIOL, 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide, 2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]ACRYLIC ACID, ... | | Authors: | Chang, C, Michalska, K, Maltseva, N.I, Jedrzejczak, R, McCarren, P, Nag, P.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-08-29 | | Release date: | 2020-09-02 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.402 Å) | | Cite: | Allosteric inhibitors of Mycobacterium tuberculosis tryptophan synthase.
Protein Sci., 29, 2020
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7RW5
 | | Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 1 | | Descriptor: | (3'R)-N-(cyclopropylmethyl)-1'-[(2-fluorophenyl)methyl]-4-methyl-5H,7H-spiro[pyrano[4,3-d]pyrimidine-8,3'-pyrrolidin]-2-amine, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Jin, L, Padyana, A.K. | | Deposit date: | 2021-08-19 | | Release date: | 2022-03-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
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6U2U
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8OQD
 | | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (1 h soaking) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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8X4I
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8OQE
 | | Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (6 h soaking) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Ribonuclease pancreatic, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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7P4J
 | | Crystal structure of Autotaxin and tetrahydrocannabinol | | Descriptor: | (6aR,10aR)-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7alpha-hydroxycholesterol, ... | | Authors: | Eymery, M.C, McCarthy, A.A, Hausmann, J. | | Deposit date: | 2021-07-11 | | Release date: | 2022-12-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Linking medicinal cannabis to autotaxin-lysophosphatidic acid signaling.
Life Sci Alliance, 6, 2023
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9CV9
 | | Bufavirus 1 at pH 4.0 | | Descriptor: | VP1 | | Authors: | Gulkis, M.C, McKenna, R, Bennett, A.D. | | Deposit date: | 2024-07-28 | | Release date: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Structural Characterization of Human Bufavirus 1: Receptor Binding and Endosomal pH-Induced Changes
Viruses, 16, 2024
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8OQF
 | | Cross-linked crystal of Dirhodium tetraacetate/ribonuclease A adduct in the P3221 space group (low temperature data collection) | | Descriptor: | (mi2-acetato-O, O')-hexaaquo-dirhodium (II), CHLORIDE ION, ... | | Authors: | Loreto, D, Merlino, A, Maity, B, Ueno, T. | | Deposit date: | 2023-04-12 | | Release date: | 2023-06-14 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Cross-Linked Crystals of Dirhodium Tetraacetate/RNase A Adduct Can Be Used as Heterogeneous Catalysts.
Inorg.Chem., 62, 2023
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5LFD
 | | Crystal structure of allantoin racemase from Pseudomonas fluorescens AllR | | Descriptor: | Allantoin racemase | | Authors: | Cendron, l, Zanotti, G, Percudani, R, Ramazzina, I, Puggioni, V, Maccacaro, E, Liuzzi, A, Secchi, A. | | Deposit date: | 2016-07-01 | | Release date: | 2017-05-10 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Structure and Function of a Microbial Allantoin Racemase Reveal the Origin and Conservation of a Catalytic Mechanism.
Biochemistry, 55, 2016
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6XIP
 | | The 1.5 A Crystal Structure of the Co-factor Complex of NSP7 and the C-terminal Domain of NSP8 from SARS CoV-2 | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 7, Non-structural protein 8 | | Authors: | Wilamowski, M, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Godzik, A, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-20 | | Release date: | 2020-07-01 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Transient and stabilized complexes of Nsp7, Nsp8, and Nsp12 in SARS-CoV-2 replication.
Biophys.J., 120, 2021
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6RS2
 | | Structure of the Bateman module of human CNNM4. | | Descriptor: | Metal transporter CNNM4 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2019-05-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.694 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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8OU8
 | | Crystal structure of E. coli threonyl tRNA synthetase in complex with a TM84 analogue | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Threonine--tRNA ligase, ... | | Authors: | Rodriguez Buitrago, J.A, Parisini, E, Aigars, J. | | Deposit date: | 2023-04-22 | | Release date: | 2023-07-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis and evaluation of an agrocin 84 toxic moiety (TM84) analogue as a malarial threonyl tRNA synthetase inhibitor.
Org.Biomol.Chem., 21, 2023
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9PTI
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6OKD
 | | Crystal Structure of human transferrin receptor in complex with a cystine-dense peptide | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Finton, K.A.K, Rupert, P.B, Strong, R.K. | | Deposit date: | 2019-04-12 | | Release date: | 2020-04-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A TfR-Binding Cystine-Dense Peptide Promotes Blood-Brain Barrier Penetration of Bioactive Molecules.
J.Mol.Biol., 432, 2020
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9BIZ
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6XYZ
 | | Crystal structure of the GH18 chitinase ChiB from the chitin utilization locus of Flavobacterium johnsoniae | | Descriptor: | 1,2-ETHANEDIOL, Candidate chitinase Glycoside hydrolase family 18, FORMIC ACID | | Authors: | Mazurkewich, S, Helland, R, MacKenzie, A, Eijsink, V, Pope, P, Branden, G, Larsbrink, J. | | Deposit date: | 2020-01-31 | | Release date: | 2020-09-02 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural insights of the enzymes from the chitin utilization locus of Flavobacterium johnsoniae.
Sci Rep, 10, 2020
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