1M3W
 
 | | Crystal Structure of a Molecular Maquette Scaffold | | Descriptor: | H10H24, MERCURY (II) ION | | Authors: | Huang, S.S, Gibney, B.R, Stayrook, S.E, Dutton, P.L, Lewis, M. | | Deposit date: | 2002-07-01 | | Release date: | 2003-02-18 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | X-ray Structure of a Maquette Scaffold
J.Mol.Biol., 326, 2003
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1M8L
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1M8Z
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1MID
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5WJB
 | | Crystal Structure of Amino Acids 1733-1797 of Human Beta Cardiac Myosin Fused to Gp7 | | Descriptor: | Capsid assembly scaffolding protein,Myosin-7 | | Authors: | Andreas, M.P, Ajay, G, Gellings, J, Rayment, I. | | Deposit date: | 2017-07-21 | | Release date: | 2017-08-09 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.905 Å) | | Cite: | Design considerations in coiled-coil fusion constructs for the structural determination of a problematic region of the human cardiac myosin rod.
J. Struct. Biol., 200, 2017
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5WR0
 | | Huisgen cycloaddition for PPARg-LBD labeling by soaking method | | Descriptor: | (E)-N-[(3E)-2-oxo-16-(8-{6-[(trifluoroacetyl)amino]hexanoyl}-8,9-dihydro-1H-dibenzo[b,f][1,2,3]triazolo[4,5-d]azocin-1-yl)hexadec-3-en-1-ylidene]glycine, Peroxisome proliferator-activated receptor gamma | | Authors: | Kojima, H, Itoh, T, Yamamoto, K. | | Deposit date: | 2016-11-29 | | Release date: | 2017-11-22 | | Last modified: | 2017-12-13 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | On-site reaction for PPAR gamma modification using a specific bifunctional ligand
Bioorg. Med. Chem., 25, 2017
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7OXO
 | | human LonP1, R-state, incubated in AMPPCP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Lon protease homolog, mitochondrial | | Authors: | Abrahams, J.P, Mohammed, I, Schmitz, K.A, Schenck, N, Maier, T. | | Deposit date: | 2021-06-22 | | Release date: | 2021-12-22 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Catalytic cycling of human mitochondrial Lon protease.
Structure, 30, 2022
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6LSR
 | | Cryo-EM structure of a pre-60S ribosomal subunit - state B | | Descriptor: | 28S rRNA, 5.8S rRNA, 5S rRNA, ... | | Authors: | Liang, X, Zuo, M, Zhang, Y, Li, N, Ma, C, Dong, M, Gao, N. | | Deposit date: | 2020-01-20 | | Release date: | 2020-08-26 | | Method: | ELECTRON MICROSCOPY (3.13 Å) | | Cite: | Structural snapshots of human pre-60S ribosomal particles before and after nuclear export.
Nat Commun, 11, 2020
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6VVO
 | | Structure of the human clamp loader (Replication Factor C, RFC) bound to the sliding clamp (Proliferating Cell Nuclear Antigen, PCNA) | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | | Authors: | Gaubitz, C, Liu, X, Stone, N.P, Kelch, B.A. | | Deposit date: | 2020-02-18 | | Release date: | 2020-02-26 | | Last modified: | 2020-03-25 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure of the human clamp loader bound to the sliding clamp: a further twist on AAA+ mechanism
Biorxiv, 2020
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4WVD
 | | Identification of a novel FXR ligand that regulates metabolism | | Descriptor: | (2aE,4E,5'S,6S,6'R,7S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(2S)-butan-2-yl]-20,20b-dihydroxy-5',6,8,19-tetramethyl-17 -oxo-3',4',5',6,6',10,11,14,15,17,17a,20,20a,20b-tetradecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacy clooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-3-O-methyl-alpha-L-arabino-hexopyranoside, Bile acid receptor, FORMIC ACID, ... | | Authors: | Wang, R, Li, Y. | | Deposit date: | 2014-11-05 | | Release date: | 2015-02-11 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The antiparasitic drug ivermectin is a novel FXR ligand that regulates metabolism.
Nat Commun, 4, 2013
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4WQP
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4X1F
 | | Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Ethinyl estradiol, Nuclear receptor subfamily 1 group I member 2 | | Authors: | Delfosse, V, Huet, T, Bourguet, W. | | Deposit date: | 2014-11-24 | | Release date: | 2015-09-09 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Synergistic activation of human pregnane X receptor by binary cocktails of pharmaceutical and environmental compounds.
Nat Commun, 6, 2015
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8ZJV
 | | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin | | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | Yang, Y, Fu, L, Chen, R, Cheng, H, Sun, X. | | Deposit date: | 2024-05-15 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of the ERK2 complexed with 5-Iodotubercidin
To Be Published
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6KLB
 | | Structure of LbCas12a-crRNA complex bound to AcrVA4 (form B complex) | | Descriptor: | AcrVA4, LbCas12a, MAGNESIUM ION, ... | | Authors: | Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F. | | Deposit date: | 2019-07-30 | | Release date: | 2019-09-11 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6UL5
 | | Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | | Authors: | Ruiz, F.X, Pilch, A, Arnold, E. | | Deposit date: | 2019-10-06 | | Release date: | 2020-02-05 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel.
J.Med.Chem., 63, 2020
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2FLZ
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2FBH
 | | The crystal structure of transcriptional regulator PA3341 | | Descriptor: | MERCURY (II) ION, SULFATE ION, ZINC ION, ... | | Authors: | Lunin, V.V, Evdokimova, E, Kudritska, M, Osipiuk, J, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2005-12-09 | | Release date: | 2005-12-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The crystal structure of transcriptional regulator PA3341
To be Published
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6DCG
 | | Discovery of MK-8353: An Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology | | Descriptor: | (3S)-3-(methylsulfanyl)-1-(2-{4-[4-(1-methyl-1H-1,2,4-triazol-3-yl)phenyl]-3,6-dihydropyridin-1(2H)-yl}-2-oxoethyl)-N-(3-{6-[(propan-2-yl)oxy]pyridin-3-yl}-1H-indazol-5-yl)pyrrolidine-3-carboxamide, Mitogen-activated protein kinase 1, SULFATE ION | | Authors: | Boga, S.B, Deng, Y, Zhu, L, Nan, Y, Cooper, A, Shipps Jr, G.W, Doll, R, Shih, N, Zhu, H, Sun, R, Wang, T, Paliwal, S, Tsui, H, Gao, X, Yao, X, Desai, J, Wang, J, Alhassan, A.B, Kelly, J, Patel, M, Muppalla, K, Gudipati, S, Zhang, L, Buevich, A, Hesk, D, Carr, D, Dayananth, P, Mei, H, Cox, K, Sherborne, B, Hruza, A.W, Xiao, L, Jin, W, Long, B, Liu, G, Taylor, S.A, Kirschmeier, P, Windsor, W.T, Bishop, R, Samatar, A.A. | | Deposit date: | 2018-05-06 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | MK-8353: Discovery of an Orally Bioavailable Dual Mechanism ERK Inhibitor for Oncology.
ACS Med Chem Lett, 9, 2018
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2FCX
 | | HIV-1 DIS kissing-loop in complex with neamine | | Descriptor: | (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucopyranoside, CHLORIDE ION, HIV-1 DIS RNA, ... | | Authors: | Ennifar, E, Paillart, J.C, Marquet, R, Dumas, P. | | Deposit date: | 2005-12-13 | | Release date: | 2006-05-16 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting the dimerization initiation site of HIV-1 RNA with aminoglycosides: from crystal to cell.
Nucleic Acids Res., 34, 2006
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6DTW
 | | HIV-1 Reverse Transcriptase Y181C Mutant in complex with JLJ 578 | | Descriptor: | 8-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-6-fluoroindolizine-2-carbonitrile, MAGNESIUM ION, Reverse transcriptase/ribonuclease H, ... | | Authors: | Sasaki, T, Gannam, Z.T.K, Anderson, K.S, Jorgensen, W.L, Lee, W. | | Deposit date: | 2018-06-18 | | Release date: | 2019-07-31 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.742 Å) | | Cite: | Molecular and cellular studies evaluating a potent 2-cyanoindolizine catechol diether NNRTI targeting wildtype and Y181C mutant HIV-1 reverse transcriptase.
Bioorg.Med.Chem.Lett., 29, 2019
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2FLT
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4W4U
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4W5R
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2FGP
 | | Crystal structure of a minimal, all RNA hairpin ribozyme with modifications (g8dap, u39c) at ph 8.6 | | Descriptor: | 5'-R(*CP*GP*GP*UP*GP*AP*(N6G)P*AP*AP*GP*GP*G)-3', 5'-R(*GP*GP*CP*AP*GP*AP*GP*AP*AP*AP*CP*AP*CP*AP*CP*GP*A)-3', 5'-R(*UP*CP*CP*CP*AP*GP*UP*CP*CP*AP*CP*CP*G)-3', ... | | Authors: | Salter, J.D, Wedekind, J.E. | | Deposit date: | 2005-12-22 | | Release date: | 2006-02-14 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Water in the Active Site of an All-RNA Hairpin Ribozyme and Effects of Gua8 Base Variants on the Geometry of Phosphoryl Transfer.
Biochemistry, 45, 2006
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4W5Q
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