5CJ3
 
 | | Crystal structure of the zorbamycin binding protein (ZbmA) from Streptomyces flavoviridis with zorbamycin | | Descriptor: | CHLORIDE ION, COPPER (II) ION, Zbm binding protein, ... | | Authors: | Chang, C, Bigelow, L, Clancy, S, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG), Rudolf, J.D, Ma, M, Chang, C.-Y, Lohman, J.R, Yang, D, Shen, B, Enzyme Discovery for Natural Product Biosynthesis, Enzyme Discovery for Natural Product Biosynthesis (NatPro) | | Deposit date: | 2015-07-13 | | Release date: | 2015-07-22 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.6499 Å) | | Cite: | Crystal Structure of the Zorbamycin-Binding Protein ZbmA, the Primary Self-Resistance Element in Streptomyces flavoviridis ATCC21892.
Biochemistry, 54, 2015
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1PUD
 | | TRNA-GUANINE TRANSGLYCOSYLASE | | Descriptor: | TRNA-GUANINE TRANSGLYCOSYLASE, ZINC ION | | Authors: | Romier, C, Reuter, K, Suck, D, Ficner, R. | | Deposit date: | 1996-06-28 | | Release date: | 1997-07-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of tRNA-guanine transglycosylase: RNA modification by base exchange.
EMBO J., 15, 1996
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6LE9
 | | The Human Telomeric Nucleosome Displays Distinct Structural and Dynamic Properties | | Descriptor: | Histone H2A type 1-B/E, Histone H2B type 1-K, Histone H3.1, ... | | Authors: | Soman, A, Liew, C.W, Teo, H.L, Berezhnoy, N, Korolev, N, Rhodes, D, Nordenskiold, L. | | Deposit date: | 2019-11-24 | | Release date: | 2020-04-22 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The human telomeric nucleosome displays distinct structural and dynamic properties.
Nucleic Acids Res., 48, 2020
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5CN6
 | | Ultrafast dynamics in myoglobin: 0.1 ps time delay | | Descriptor: | CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Barends, T.R.M, Foucar, L, Ardevol, A, Nass, K.J, Aquila, A, Botha, S, Doak, R.B, Falahati, K, Hartmann, E, Hilpert, M, Heinz, M, Hoffmann, M.C, Koefinger, J, Koglin, J, Kovacsova, G, Liang, M, Milathianaki, D, Lemke, H.T, Reinstein, J, Roome, C.M, Shoeman, R.L, Williams, G.J, Burghardt, I, Hummer, G, Boutet, S, Schlichting, I. | | Deposit date: | 2015-07-17 | | Release date: | 2015-09-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Direct observation of ultrafast collective motions in CO myoglobin upon ligand dissociation.
Science, 350, 2015
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6LEZ
 | | Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH | | Descriptor: | 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide, Bifunctional dihydrofolate reductase-thymidylate synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Vanichtanankul, J, Vitsupakorn, D. | | Deposit date: | 2019-11-27 | | Release date: | 2020-12-02 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.644 Å) | | Cite: | Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
Eur.J.Med.Chem., 195, 2020
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5CBV
 | | Human Cyclophilin D Complexed with Inhibitor | | Descriptor: | FORMIC ACID, Human Cyclophilin D, POTASSIUM ION, ... | | Authors: | Gibson, R.P, Shore, E, Kershaw, N, Awais, M, Javed, A, Latawiec, D, Pandalaneni, S, Wen, L, Berry, N, O'Neill, P, Sutton, R, Lian, L.Y. | | Deposit date: | 2015-07-01 | | Release date: | 2016-07-20 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Human Cyclophilin D Complexed with Inhibitor
To Be Published
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2V2B
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6L2O
 | | Crystal structure of the R.PabI(Y68F-K154A)-dsDNA(GTAC-5bp-GTAC) complex | | Descriptor: | DNA (5'-D(*CP*A*GP*CP*AP*GP*TP*AP*CP*TP*TP*AP*AP*AP*GP*TP*AP*CP*TP*GP*CP*TP*G)-3'), RE_R_Pab1 domain-containing protein | | Authors: | Miyazono, K, Wang, D, Ito, T, Tanokura, M. | | Deposit date: | 2019-10-05 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Distortion of double-stranded DNA structure by the binding of the restriction DNA glycosylase R.PabI.
Nucleic Acids Res., 48, 2020
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6UQ0
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 4 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2019-10-18 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.56 Å) | | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6YLR
 | | Translation initiation factor 4E in complex with bn7GpppG mRNA 5' cap analog | | Descriptor: | Eukaryotic translation initiation factor 4E, bn7GpppG mRNA 5' cap analog | | Authors: | Kubacka, D, Wojcik, R, Baranowski, M.R, Warminski, M, Kowalska, J, Jemielity, J. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1954546 Å) | | Cite: | Novel N7-Arylmethyl Substituted Dinucleotide mRNA 5' cap Analogs: Synthesis and Evaluation as Modulators of Translation.
Pharmaceutics, 13, 2021
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6UPX
 | | RNA polymerase II elongation complex with 5-guanidinohydantoin lesion in state 1 | | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | | Authors: | Oh, J, Wang, D. | | Deposit date: | 2019-10-18 | | Release date: | 2020-06-10 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | RNA polymerase II stalls on oxidative DNA damage via a torsion-latch mechanism involving lone pair-pi and CH-pi interactions.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6YNK
 | | Crystal structure of YTHDC1 with compound DHU_DC1_068 | | Descriptor: | 6-[[furan-2-ylmethyl(methyl)amino]methyl]-5~{H}-pyrimidine-2,4-dione, DI(HYDROXYETHYL)ETHER, SULFATE ION, ... | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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5BYY
 | | ERK5 IN COMPLEX WITH SMALL MOLECULE | | Descriptor: | 2-{[2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino}-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, Mitogen-activated protein kinase 7 | | Authors: | Chen, H, Tucker, J, Wang, X, Gavine, P.R, Philips, C, Augustin, M.A, Schreiner, P, Steinbacher, S, Preston, M, Ogg, D. | | Deposit date: | 2015-06-11 | | Release date: | 2016-05-04 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.79 Å) | | Cite: | Discovery of a novel allosteric inhibitor-binding site in ERK5: comparison with the canonical kinase hinge ATP-binding site.
Acta Crystallogr D Struct Biol, 72, 2016
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6YNN
 | | Crystal structure of YTHDC1 with compound DHU_DC1_135 | | Descriptor: | 6-[[(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-amino]methyl]-1~{H}-pyrimidine-2,4-dione, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Atomistic and Thermodynamic Analysis of N6-Methyladenosine (m 6 A) Recognition by the Reader Domain of YTHDC1.
J Chem Theory Comput, 17, 2021
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5BZ2
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6YM0
 | | Crystal structure of the SARS-CoV-2 receptor binding domain in complex with CR3022 Fab (crystal form 1) | | Descriptor: | Spike glycoprotein, heavy chain, light chain | | Authors: | Huo, J, Zhao, Y, Ren, J, Zhou, D, Ginn, H.M, Fry, E.E, Owens, R, Stuart, D.I. | | Deposit date: | 2020-04-07 | | Release date: | 2020-04-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (4.36 Å) | | Cite: | Neutralization of SARS-CoV-2 by Destruction of the Prefusion Spike.
Cell Host Microbe, 28, 2020
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6LIH
 | | BRD4 BD1 bound with compound 10 | | Descriptor: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D. | | Deposit date: | 2019-12-11 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62030542 Å) | | Cite: | BRD4 BD1 bound with compound 10
To Be Published
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5C0K
 | | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Compound 3 | | Descriptor: | (2S)-1-{[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino}-1-oxopropan-2-aminium, 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase XIAP, ... | | Authors: | Chessari, G, Buck, I.M, Day, J.E.H, Day, P.J, Iqbal, A, Johnson, C.N, Lewis, E.J, Martins, V, Miller, D, Reader, M, Rees, D.C, Rich, S.J, Tamanini, E, Vitorino, M, Ward, G.A, Williams, P.A, Williams, G, Wilsher, N.E, Woolford, A.J.-A. | | Deposit date: | 2015-06-12 | | Release date: | 2015-08-12 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Fragment-Based Drug Discovery Targeting Inhibitor of Apoptosis Proteins: Discovery of a Non-Alanine Lead Series with Dual Activity Against cIAP1 and XIAP.
J.Med.Chem., 58, 2015
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6YNJ
 | | Crystal structure of YTHDC1 with compound DHU_DC1_046 | | Descriptor: | (2~{R})-2-(2-chlorophenyl)-5,5-dimethyl-morpholine, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-13 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6YNM
 | | Crystal structure of YTHDC1 with compound DHU_DC1_096 | | Descriptor: | 1-[(2~{R},5~{S})-2-(3-chlorophenyl)-5-methyl-morpholin-4-yl]-3-methoxy-propan-2-ol, SULFATE ION, YTHDC1 | | Authors: | Bedi, R.K, Huang, D, Wiedmer, L, Caflisch, A. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1
Eur J Med Chem Rep, 5, 2022
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6L84
 | | Complex of DNA polymerase IV and D-DNA duplex | | Descriptor: | CALCIUM ION, DNA (5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*C)-3'), DNA (5'-D(P*CP*GP*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | | Authors: | Chung, H.S, An, J, Hwang, D. | | Deposit date: | 2019-11-04 | | Release date: | 2020-07-08 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.602 Å) | | Cite: | The crystal structure of a natural DNA polymerase complexed with mirror DNA.
Chem.Commun.(Camb.), 56, 2020
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6YQT
 | | CRYSTAL STRUCTURE OF HUMAN CA II IN COMPLEX WITH A SULFONAMIDE DERIVATIVE OF 2-MERCAPTOBENZOXAZOLE | | Descriptor: | 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | | Authors: | Alterio, V, De Simone, G, Esposito, D. | | Deposit date: | 2020-04-18 | | Release date: | 2020-07-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | 2-Mercaptobenzoxazoles: a class of carbonic anhydrase inhibitors with a novel binding mode to the enzyme active site.
Chem.Commun.(Camb.), 56, 2020
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2WJ8
 | | Respiratory Syncitial Virus RiboNucleoProtein | | Descriptor: | BORATE ION, NUCLEOPROTEIN, RNA (5'-R(*CP*CP*CP*CP*CP*C)-3') | | Authors: | Tawar, R.G, Duquerroy, S, Vonrhein, C, Varela, P.F, Damier-Piolle, L, Castagne, N, MacLellan, K, Bedouelle, H, Bricogne, G, Bhella, D, Eleouet, J, Rey, F.A. | | Deposit date: | 2009-05-25 | | Release date: | 2009-12-08 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Crystal Structure of a Nucleocapsid-Like Nucleoprotein-RNA Complex of Respiratory Syncytial Virus
Science, 326, 2009
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6LIM
 | | BRD4-BD1 bound with compound 40 | | Descriptor: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D, Li, Y. | | Deposit date: | 2019-12-12 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75909507 Å) | | Cite: | BRD4-BD1 bound with compound 40
To Be Published
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6L62
 | | Neutralization mechanism of a monoclonal antibody targeting a porcine circovirus type 2 Cap protein conformational epitope | | Descriptor: | Capsid protein, Heavy chain of Fab fragment, Light chain of Fab fragment | | Authors: | Sun, Z, Huang, L, Xia, D, Wei, Y, Sun, E, Zhu, H, Bian, H, Wu, H, Feng, L, Wang, J, Liu, C. | | Deposit date: | 2019-10-25 | | Release date: | 2020-02-12 | | Last modified: | 2020-04-29 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Neutralization Mechanism of a Monoclonal Antibody Targeting a Porcine Circovirus Type 2 Cap Protein Conformational Epitope.
J.Virol., 94, 2020
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