7VEM
 
 | | the NADPH-assisted quinone oxidoreductase from Phytophthora capsici | | Descriptor: | 1,2-ETHANEDIOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, the NADPH-assisted quinone oxidoreductase | | Authors: | Yang, C.C, Zhu, C.Y. | | Deposit date: | 2021-09-09 | | Release date: | 2021-11-10 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | Structural Insights into the NAD(P)H:Quinone Oxidoreductase from Phytophthora capsici.
Acs Omega, 7, 2022
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6XKF
 | | The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine). | | Descriptor: | 1,2-ETHANEDIOL, 3C-like proteinase, CHLORIDE ION | | Authors: | Tan, K, Maltseva, N.I, Welk, L.F, Jedrzejczak, R.P, Coates, L, Kovalevskyi, A.Y, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-06-26 | | Release date: | 2020-07-08 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of 3CL MainPro of SARS-CoV-2 with oxidized Cys145 (Sulfenic acid cysteine).
To Be Published
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8P2O
 | | Dimeric mutant S103R of the BTB domain of ZBTB8A from Xenopus laevis | | Descriptor: | 1,2-ETHANEDIOL, Zinc finger and BTB domain-containing protein 8A.1-A | | Authors: | Coste, F, Mance, L, Pukalo, Z, Suskiewicz, M.J. | | Deposit date: | 2023-05-16 | | Release date: | 2024-06-05 | | Last modified: | 2024-12-18 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Dynamic BTB-domain filaments promote clustering of ZBTB proteins.
Mol.Cell, 84, 2024
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6OEB
 | | Crystal structure of HMCES SRAP domain in complex with 3' overhang DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*CP*CP*AP*GP*AP*CP*GP*TP*T)-3'), DNA (5'-D(*GP*TP*CP*TP*GP*G)-3'), ... | | Authors: | Halabelian, L, Ravichandran, M, Li, Y, Zeng, H, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-03-27 | | Release date: | 2019-04-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural basis of HMCES interactions with abasic DNA and multivalent substrate recognition.
Nat.Struct.Mol.Biol., 26, 2019
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6XKV
 | | R. capsulatus cyt bc1 with both FeS proteins in b position (CIII2 b-b) | | Descriptor: | Cytochrome b, Cytochrome c1, FE2/S2 (INORGANIC) CLUSTER, ... | | Authors: | Steimle, S, Van Eeuwen, T, Ozturk, Y, Kim, H.J, Braitbard, M, Selamoglu, N, Garcia, B.A, Schneidman-Duhovny, D, Murakami, K, Daldal, F. | | Deposit date: | 2020-06-27 | | Release date: | 2020-12-30 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Cryo-EM structures of engineered active bc 1 -cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes.
Nat Commun, 12, 2021
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4TSD
 | | Crystal structure of Helicobacter pylori HP1029 | | Descriptor: | 1,2-ETHANEDIOL, HP1029, ZINC ION | | Authors: | Vallese, F, Percudani, R, Zanotti, G. | | Deposit date: | 2014-06-18 | | Release date: | 2015-06-10 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | The crystal structure of Helicobacter pylori HP1029 highlights the functional diversity of the sialic acid-related DUF386 family.
Febs J., 282, 2015
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7BVR
 | | DgpB-DgpC complex apo | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, AP_endonuc_2 domain-containing protein, DgpB, ... | | Authors: | Mori, T, He, H, Abe, I. | | Deposit date: | 2020-04-11 | | Release date: | 2021-04-14 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | C-Glycoside metabolism in the gut and in nature: Identification, characterization, structural analyses and distribution of C-C bond-cleaving enzymes.
Nat Commun, 12, 2021
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8VKJ
 | | Cryo-EM structure of human HGSNAT bound with Acetyl-CoA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYL COENZYME *A, ... | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-09 | | Release date: | 2024-06-26 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.
Nat Commun, 15, 2024
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7Q7S
 | | Crystal structure of human BCL6 BTB domain in complex with compound 4 | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile, ALA-TRP-VAL-ILE-PRO-ALA, ... | | Authors: | Collie, G.W, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-11-09 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.44 Å) | | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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8E1A
 | | Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor | | Authors: | Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A. | | Deposit date: | 2022-08-10 | | Release date: | 2022-09-14 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
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8VLV
 | | Cryo-EM structure of human HGSNAT in inactive state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Li, F. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-26 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.49 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.
Nat Commun, 15, 2024
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9M3N
 | | Crystal structure of human TRIM21 PRYSPRY in complex with T-02 | | Descriptor: | 1-ethyl-~{N}-methyl-5-phenyl-~{N}-[3-[3-(trifluoromethyl)phenyl]cyclobutyl]pyrazole-4-carboxamide, E3 ubiquitin-protein ligase TRIM21 | | Authors: | Zhang, L.J, Zhang, L.Y. | | Deposit date: | 2025-03-03 | | Release date: | 2025-07-16 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | TRIM21-Driven Degradation of BRD4: Development of Heterobifunctional Degraders and Investigation of Recruitment and Selectivity Mechanisms.
J.Chem.Inf.Model., 65, 2025
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7Q7V
 | | Crystal structure of human BCL6 BTB domain in complex with compound 12a | | Descriptor: | 1,2-ETHANEDIOL, 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile, B-cell lymphoma 6 protein, ... | | Authors: | Rodrigues, M.J, Le Bihan, Y.-V, van Montfort, R.L.M. | | Deposit date: | 2021-11-09 | | Release date: | 2022-06-15 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | Optimizing Shape Complementarity Enables the Discovery of Potent Tricyclic BCL6 Inhibitors.
J.Med.Chem., 65, 2022
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6I8V
 | | KtrC with ATP bound | | Descriptor: | 1,4-BUTANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, ... | | Authors: | Rocha, R, Morais-Cabral, J.H. | | Deposit date: | 2018-11-21 | | Release date: | 2019-10-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.991 Å) | | Cite: | Characterization of the molecular properties of KtrC, a second RCK domain that regulates a Ktr channel in Bacillus subtilis.
J.Struct.Biol., 205, 2019
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8SU2
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7BVU
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8VLY
 | | Cryo-EM structure of human HGSNAT in transition state | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heparan-alpha-glucosaminide N-acetyltransferase | | Authors: | Li, F, Zhao, B. | | Deposit date: | 2024-01-12 | | Release date: | 2024-06-26 | | Last modified: | 2024-11-13 | | Method: | ELECTRON MICROSCOPY (3.61 Å) | | Cite: | Structural and mechanistic insights into a lysosomal membrane enzyme HGSNAT involved in Sanfilippo syndrome.
Nat Commun, 15, 2024
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1AXV
 | | SOLUTION NMR STRUCTURE OF THE [BP]DA ADDUCT OPPOSITE DT IN A DNA DUPLEX, 6 STRUCTURES | | Descriptor: | 1,2,3-TRIHYDROXY-1,2,3,4-TETRAHYDROBENZO[A]PYRENE, DNA DUPLEX D(CTCTC-[BP]A-CTTCC)D(GGAAGTGAGAG) | | Authors: | Mao, B, Gu, Z, Gorin, A.A, Chen, J, Hingerty, B.E, Amid, S, Broyde, S, Geacintov, N.E, Patel, D.J. | | Deposit date: | 1997-10-21 | | Release date: | 1998-07-01 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the (+)-cis-anti-benzo[a]pyrene-dA ([BP]dA) adduct opposite dT in a DNA duplex.
Biochemistry, 38, 1999
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5HOS
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5JJW
 | | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain | | Descriptor: | 1,2-ETHANEDIOL, Squamous cell carcinoma antigen recognized by T-cells 3, UNKNOWN ATOM OR ION, ... | | Authors: | Dong, A, Zhang, Q, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | | Deposit date: | 2016-04-25 | | Release date: | 2016-05-04 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (3.01 Å) | | Cite: | Crystal structure of the HAT domain of sart3 in complex with USP15 DUSP-UBL domain
to be published
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7SUM
 | | Crystal structure of human ligase I with nick duplexes containing cognate A:T | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA ligase 1, DNA(5'-*GP*CP*TP*GP*AP*TP*GP*CP*GP*TP*A-3'), ... | | Authors: | Tang, Q, Gulkis, M, McKenna, R, Caglayan, M. | | Deposit date: | 2021-11-17 | | Release date: | 2022-07-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structures of LIG1 that engage with mutagenic mismatches inserted by pol beta in base excision repair.
Nat Commun, 13, 2022
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8BC4
 | | Cryo-EM Structure of a BmSF-TAL - Sulfofructose Schiff Base Complex in symmetry group C1 | | Descriptor: | (2~{R},3~{S},4~{S})-2,3,4,6-tetrakis(oxidanyl)hexane-1-sulfonic acid, Transaldolase | | Authors: | Snow, A.J.D, Sharma, M, Blaza, J, Davies, G.J. | | Deposit date: | 2022-10-14 | | Release date: | 2023-01-18 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structure and mechanism of sulfofructose transaldolase, a key enzyme in sulfoquinovose metabolism.
Structure, 31, 2023
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9B4F
 | | Structure of human PSS1-P269S | | Descriptor: | CALCIUM ION, Phosphatidylserine synthase 1 | | Authors: | Long, T, Li, X. | | Deposit date: | 2024-03-20 | | Release date: | 2024-09-04 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Molecular insights into human phosphatidylserine synthase 1 reveal its inhibition promotes LDL uptake.
Cell, 187, 2024
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4ZYK
 | | Crystal Structure of Quaternary-Specific RSV-Neutralizing Human Antibody AM14 | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, AM14 Fab heavy chain, ... | | Authors: | Gilman, M.S.A, McLellan, J.S. | | Deposit date: | 2015-05-21 | | Release date: | 2015-07-29 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Characterization of a Prefusion-Specific Antibody That Recognizes a Quaternary, Cleavage-Dependent Epitope on the RSV Fusion Glycoprotein.
Plos Pathog., 11, 2015
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6R5D
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