7LXV
| Structure of human 20S proteasome with bound MPI-5 | Descriptor: | N-[(1R)-2-([1,1'-biphenyl]-4-yl)-1-boronoethyl]-1-methyl-L-prolinamide, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ... | Authors: | Metcalfe, R.D, Morton, C.J, Liu, B, Xie, S.C, Hanssen, E, Leis, A.P, Tilley, L, Griffin, M.D.W. | Deposit date: | 2021-03-05 | Release date: | 2021-09-22 | Last modified: | 2022-04-13 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Design of proteasome inhibitors with oral efficacy in vivo against Plasmodium falciparum and selectivity over the human proteasome. Proc.Natl.Acad.Sci.USA, 118, 2021
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1O5G
| Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, CALCIUM ION, Hirudin IIIB', ... | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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6VVY
| Mycobacterium tuberculosis WT RNAP transcription open promoter complex with Sorangicin | Descriptor: | DNA (65-MER), DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, ... | Authors: | Lilic, M, Boyaci, H, Chen, J, Darst, S.A, Campbell, E.A. | Deposit date: | 2020-02-18 | Release date: | 2020-10-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.42 Å) | Cite: | The antibiotic sorangicin A inhibits promoter DNA unwinding in a Mycobacterium tuberculosis rifampicin-resistant RNA polymerase. Proc.Natl.Acad.Sci.USA, 117, 2020
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6VOI
| Chloroplast ATP synthase (O1, CF1) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase delta chain, ... | Authors: | Yang, J.-H, Williams, D, Kandiah, E, Fromme, P, Chiu, P.-L. | Deposit date: | 2020-01-30 | Release date: | 2020-09-09 | Last modified: | 2020-09-16 | Method: | ELECTRON MICROSCOPY (4.03 Å) | Cite: | Structural basis of redox modulation on chloroplast ATP synthase. Commun Biol, 3, 2020
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1O5B
| Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 4-IODOBENZO[B]THIOPHENE-2-CARBOXAMIDINE, CITRIC ACID, Urokinase-type plasminogen activator | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA) J.Mol.Biol., 344, 2004
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5NG2
| Structure of RIP2K(D146N) with bound Staurosporine | Descriptor: | PHOSPHATE ION, Receptor-interacting serine/threonine-protein kinase 2, STAUROSPORINE | Authors: | Pellegrini, E, Cusack, S. | Deposit date: | 2017-03-16 | Release date: | 2017-06-07 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structures of the inactive and active states of RIP2 kinase inform on the mechanism of activation. PLoS ONE, 12, 2017
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6S0U
| The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel and 2-oxoglutarate | Descriptor: | 2-OXOGLUTARIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. | Deposit date: | 2019-06-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
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5D4J
| Chloride-bound form of a copper nitrite reductase from Alcaligenes faecals | Descriptor: | ACETIC ACID, CHLORIDE ION, COPPER (II) ION, ... | Authors: | Fukuda, Y, Tse, K.M, Nakane, T, Nakatsu, T, Suzuki, M, Sugahara, M, Inoue, S, Yumoto, F, Matsugaki, N, Nango, E, Tono, K, Joti, Y, Kameshima, T, Song, C, Yabashi, M, Nureki, O, Murphy, M.E.P, Inoue, T, Iwata, S, Mizohata, E. | Deposit date: | 2015-08-07 | Release date: | 2016-03-09 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Redox-coupled proton transfer mechanism in nitrite reductase revealed by femtosecond crystallography Proc.Natl.Acad.Sci.USA, 113, 2016
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6VLE
| Crystal structure of human alpha 1,6-fucosyltransferase, FUT8 in its Apo-form | Descriptor: | Alpha-(1,6)-fucosyltransferase, SULFATE ION | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.28 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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5NNK
| The structure of LL-37 crystallized in the presence LDAO | Descriptor: | Cathelicidin antimicrobial peptide, LAURYL DIMETHYLAMINE-N-OXIDE | Authors: | Zeth, K, Sancho-Vaello, E. | Deposit date: | 2017-04-10 | Release date: | 2018-01-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.798 Å) | Cite: | Structural remodeling and oligomerization of human cathelicidin on membranes suggest fibril-like structures as active species. Sci Rep, 7, 2017
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5IRX
| Structure of TRPV1 in complex with DkTx and RTX, determined in lipid nanodisc | Descriptor: | (2S)-2-(acetyloxy)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}propyl pentanoate, (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, (4R,7S)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(pentanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphatetradecan-1-aminium, ... | Authors: | Gao, Y, Cao, E, Julius, D, Cheng, Y. | Deposit date: | 2016-03-14 | Release date: | 2016-05-25 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (2.95 Å) | Cite: | TRPV1 structures in nanodiscs reveal mechanisms of ligand and lipid action. Nature, 534, 2016
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4WU9
| Structure of cisPtNAP-NCP145 | Descriptor: | DNA (145-MER), Histone H2A type 1, Histone H2B 1.1, ... | Authors: | Chua, E.Y.D, Davey, G.E, Chin, C.F, Droge, P, Ang, W.H, Davey, C.A. | Deposit date: | 2014-10-31 | Release date: | 2015-09-02 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Stereochemical control of nucleosome targeting by platinum-intercalator antitumor agents. Nucleic Acids Res., 43, 2015
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5J40
| The X-ray structure of JCV Helicase | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Large T antigen, SULFATE ION, ... | Authors: | Ter Haar, E. | Deposit date: | 2016-03-31 | Release date: | 2016-07-20 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Fragment-Based Discovery of Dual JC Virus and BK Virus Helicase Inhibitors. J.Med.Chem., 59, 2016
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6VLG
| Crystal structure of mouse alpha 1,6-fucosyltransferase, FUT8 bound to GDP | Descriptor: | Alpha-(1,6)-fucosyltransferase, GUANOSINE-5'-DIPHOSPHATE, SULFATE ION, ... | Authors: | Jarva, M.A, Dramicanin, M, Lingford, J.P, Mao, R, John, A, Goddard-Borger, E.D. | Deposit date: | 2020-01-23 | Release date: | 2020-02-26 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis of substrate recognition and catalysis by fucosyltransferase 8. J.Biol.Chem., 295, 2020
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8BU8
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7JHG
| Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2020-07-20 | Release date: | 2021-07-21 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7JHH
| Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Fab and nanobody | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Murkherjee, S, Zhou, X.E, Xu, T.H, Xu, H.E, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2020-07-20 | Release date: | 2021-07-21 | Last modified: | 2021-12-15 | Method: | ELECTRON MICROSCOPY (3.92 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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5M1K
| Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Magnesium | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, Phage terminase large subunit, ... | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | Deposit date: | 2016-10-09 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism. Nucleic Acids Res., 45, 2017
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5M1P
| Crystal structure of the large terminase nuclease from thermophilic phage G20c with bound Calcium | Descriptor: | CALCIUM ION, Terminase large subunit | Authors: | Xu, R.G, Jenkins, H.T, Chechik, M, Blagova, E.V, Greive, S.J, Antson, A.A. | Deposit date: | 2016-10-09 | Release date: | 2016-10-26 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Viral genome packaging terminase cleaves DNA using the canonical RuvC-like two-metal catalysis mechanism. Nucleic Acids Res., 45, 2017
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7JLH
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6GCI
| Structure of the bongkrekic acid-inhibited mitochondrial ADP/ATP carrier | Descriptor: | Bongkrekic acid, CARDIOLIPIN, HEXAETHYLENE GLYCOL, ... | Authors: | Ruprecht, J.J, King, M.S, Pardon, E, Aleksandrova, A.A, Zogg, T, Crichton, P.G, Steyaert, J, Kunji, E.R.S. | Deposit date: | 2018-04-17 | Release date: | 2019-01-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | The Molecular Mechanism of Transport by the Mitochondrial ADP/ATP Carrier. Cell, 176, 2019
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5LQZ
| Structure of F-ATPase from Pichia angusta, state1 | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP synthase OSCP subunit, ... | Authors: | Vinothkumar, K.R, Montgomery, M.G, Liu, S, Walker, J.E. | Deposit date: | 2016-08-17 | Release date: | 2016-11-16 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (7 Å) | Cite: | Structure of the mitochondrial ATP synthase fromPichia angustadetermined by electron cryo-microscopy. Proc. Natl. Acad. Sci. U.S.A., 113, 2016
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5KRC
| Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Zearalenone | Descriptor: | (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5LLB
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8DU4
| Complex between RbBP5-WDR5 and an H2B-ubiquitinated nucleosome | Descriptor: | 601 DNA (146-MER), Histone H2A, Histone H2B 1.1, ... | Authors: | Niklas, H.A, Rahman, S, Worden, E.J, Wolberger, C. | Deposit date: | 2022-07-26 | Release date: | 2022-09-21 | Last modified: | 2022-10-05 | Method: | ELECTRON MICROSCOPY (3.55 Å) | Cite: | Multistate structures of the MLL1-WRAD complex bound to H2B-ubiquitinated nucleosome. Proc.Natl.Acad.Sci.USA, 119, 2022
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