6WH4
 
 | | Crystal structure of HTR2A with inverse agonist | | Descriptor: | 1-methyl-4-[(5~{S})-3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]piperazine, 5-hydroxytryptamine receptor 2A,Soluble cytochrome b562 fusion, CHOLESTEROL, ... | | Authors: | Kim, K.L, Che, T, Krumm, B.E, Roth, B.L. | | Deposit date: | 2020-04-07 | | Release date: | 2020-09-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structure of a Hallucinogen-Activated Gq-Coupled 5-HT 2A Serotonin Receptor
Cell(Cambridge,Mass.), 182, 2020
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8ID1
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8IJG
 | | Crystal structure of alcohol dehydrogenase M5 from Burkholderia gladioli with NADP | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Putative short-chain dehydrogenases/reductase family protein | | Authors: | Han, X, Mei, Z.L, Liu, W.D, Sun, Z.T, Ma, J.A. | | Deposit date: | 2023-02-27 | | Release date: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Crystal structure of alcohol dehydrogenase from Burkholderia gladioli with NADP
To Be Published
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6WGL
 | | Dupilumab fab with Crystal Kappa design complexed with human IL-4 receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Dupilumab Fab heavy chain, ... | | Authors: | Druzina, Z, Atwell, S, Pustilnik, A, Antonysamy, S, Ho, C, Lieu, R, Hendle, J, Benach, J, Wang, J. | | Deposit date: | 2020-04-05 | | Release date: | 2020-09-16 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing.
Plos One, 15, 2020
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5JKS
 | | vaccinia virus D4 R167A mutant /A20(1-50) | | Descriptor: | DNA polymerase processivity factor component A20, SULFATE ION, Uracil-DNA glycosylase | | Authors: | Contesto-Richefeu, C, Tarbouriech, N, Brazzolotto, X, Burmeister, W.P, Peyrefitte, C.N, Iseni, F. | | Deposit date: | 2016-04-26 | | Release date: | 2016-09-14 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Structural analysis of point mutations at the Vaccinia virus A20/D4 interface.
Acta Crystallogr.,Sect.F, 72, 2016
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6WC5
 | | Crystal Structure of a Ternary MEF2B/NKX2-5/myocardin enhancer DNA Complex | | Descriptor: | Homeobox protein Nkx-2.5, Myocardin enhancer DNA, Myocyte-specific enhancer factor 2B | | Authors: | Chen, L, Lei, X. | | Deposit date: | 2020-03-29 | | Release date: | 2020-07-22 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Ternary Complexes of MEF2 and NKX2-5 Bound to DNA Reveal a Disease Related Protein-Protein Interaction Interface.
J.Mol.Biol., 432, 2020
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4ZKV
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8IN0
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4Z7G
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4Z8J
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5JLC
 | | Structure of CYP51 from the pathogen Candida glabrata | | Descriptor: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one, CHLORIDE ION, Lanosterol 14-alpha demethylase, ... | | Authors: | Keniya, M.V, Sabherwal, M, Wilson, R.K, Sagatova, A.A, Tyndall, J.D.A, Monk, B.C. | | Deposit date: | 2016-04-26 | | Release date: | 2016-05-25 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Crystal Structures of Full-Length Lanosterol 14 alpha-Demethylases of Prominent Fungal Pathogens Candida albicans and Candida glabrata Provide Tools for Antifungal Discovery.
Antimicrob.Agents Chemother., 62, 2018
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8FW3
 | | MtrR from Neisseria gonorrhoeae bound to Testosterone | | Descriptor: | HTH-type transcriptional regulator MtrR, PHOSPHATE ION, TESTOSTERONE | | Authors: | Hooks, G.H, Brennan, R.G. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
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8INL
 | | LSD1 in complex with S2172 | | Descriptor: | 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Niwa, H, Sato, S, Umehara, T. | | Deposit date: | 2023-03-10 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.62 Å) | | Cite: | LSD1 in complex with S2172
To Be Published
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6WKS
 | | Structure of SARS-CoV-2 nsp16/nsp10 in complex with RNA cap analogue (m7GpppA) and S-adenosylmethionine | | Descriptor: | 1,2-ETHANEDIOL, 2'-O-methyltransferase, ADENOSINE, ... | | Authors: | Gupta, Y.K, Viswanathan, T, Arya, S, Qi, S, Misra, A, Chan, S.-H. | | Deposit date: | 2020-04-16 | | Release date: | 2020-05-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of RNA cap modification by SARS-CoV-2.
Nat Commun, 11, 2020
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5JNV
 | | Crystal structure of bovine low molecular weight protein tyrosine phosphatase (LMPTP) mutant (W49Y N50E) complexed with HEPES | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, Low molecular weight phosphotyrosine protein phosphatase | | Authors: | Stanford, S.M, Aleshin, A.E, Liddington, R.C, Bankston, L, Cadwell, G, Bottini, N. | | Deposit date: | 2016-04-30 | | Release date: | 2017-03-29 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Diabetes reversal by inhibition of the low-molecular-weight tyrosine phosphatase.
Nat. Chem. Biol., 13, 2017
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6WBZ
 | | Structure of Human HDAC2 in complex with an ethyl ketone inhibitor containing a spiro-bicyclic group | | Descriptor: | (1S)-N-{(1S)-7,7-dihydroxy-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]nonyl}-6-ethyl-6-azaspiro[2.5]octane-1-carboxamide, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Klein, D.J, Yu, W. | | Deposit date: | 2020-03-28 | | Release date: | 2020-05-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.32 Å) | | Cite: | Discovery of ethyl ketone-based HDACs 1, 2, and 3 selective inhibitors for HIV latency reactivation.
Bioorg.Med.Chem.Lett., 30, 2020
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8FUH
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8FW8
 | | MtrR from Neisseria gonorrhoeae bound to Progesterone | | Descriptor: | 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, HTH-type transcriptional regulator MtrR, PHOSPHATE ION, ... | | Authors: | Hooks, G.H, Brennan, R.G. | | Deposit date: | 2023-01-20 | | Release date: | 2024-01-24 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.31 Å) | | Cite: | Hormonal steroids induce multidrug resistance and stress response genes in Neisseria gonorrhoeae by binding to MtrR.
Nat Commun, 15, 2024
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8FP7
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8IEY
 | | Aquifex aeolicus TsaD-TsaB | | Descriptor: | DI(HYDROXYETHYL)ETHER, FE (III) ION, Gcp-like domain-containing protein, ... | | Authors: | Lu, S.Z, Zhang, W.H. | | Deposit date: | 2023-02-16 | | Release date: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Aquifex aeolicus TsaD-TsaB complex
To Be Published
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8IFX
 | | Aquifex aeolicus TsaD-TsaB in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, FE (III) ION, ... | | Authors: | Lu, S.Z, Zhang, W.H. | | Deposit date: | 2023-02-20 | | Release date: | 2024-03-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of Aquifex aeolicus TsaD-TsaB in complex with ADP
To Be Published
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8FP8
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8FPD
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8IN7
 | | Crystal structure of UGT74AN3-UDP | | Descriptor: | Glycosyltransferase, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Feng, L, Wei, H. | | Deposit date: | 2023-03-08 | | Release date: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Crystal structure of UGT74AN3-UDP
To Be Published
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8FPB
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