7PAY
| Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium and GGsPP | Descriptor: | Dehydrodolichyl diphosphate synthase complex subunit DHDDS, Dehydrodolichyl diphosphate synthase complex subunit NUS1, MAGNESIUM ION, ... | Authors: | Giladi, M, Lisnyansky Bar-El, M, Haitin, Y. | Deposit date: | 2021-07-30 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for long-chain isoprenoid synthesis by cis -prenyltransferases. Sci Adv, 8, 2022
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5WQH
| Structure of fungal meroterpenoid isomerase Trt14 complexed with substrate analog and endo-terretonin D | Descriptor: | CALCIUM ION, Isomerase trt14, methyl (2S,4aR,4bS,5S,6aS,10aS,10bS,12aS)-2,4b,7,7,10a,12,12a-heptamethyl-5-oxidanyl-1,4,6,8-tetrakis(oxidanylidene)-4a,5,6a,9,10,10b-hexahydronaphtho[1,2-h]isochromene-2-carboxylate, ... | Authors: | Mori, T, Matsuda, Y, Abe, I. | Deposit date: | 2016-11-26 | Release date: | 2017-07-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.102 Å) | Cite: | Molecular basis for the unusual ring reconstruction in fungal meroterpenoid biogenesis Nat. Chem. Biol., 13, 2017
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7PB0
| Structure of the human heterotetrameric cis-prenyltransferase complex in complex with magnesium, GGsPP and IsPP | Descriptor: | 3-methylbut-3-enylsulfanyl(phosphonooxy)phosphinic acid, Dehydrodolichyl diphosphate synthase complex subunit DHDDS, Dehydrodolichyl diphosphate synthase complex subunit NUS1, ... | Authors: | Giladi, M, Lisnyansky Bar-El, M, Haitin, Y. | Deposit date: | 2021-07-30 | Release date: | 2022-06-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structural basis for long-chain isoprenoid synthesis by cis -prenyltransferases. Sci Adv, 8, 2022
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3ZWY
| Crystal structure of ADP-ribosyl cyclase complexed with 8-bromo-ADP- ribose and cyclic 8-bromo-cyclic-ADP-ribose | Descriptor: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8 ,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide, ADP-RIBOSYL CYCLASE, [(2R,3S,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4S)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate | Authors: | Kotaka, M, Graeff, R, Zhang, L.H, Lee, H.C, Hao, Q. | Deposit date: | 2011-08-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural Studies of Intermediates Along the Cyclization Pathway of Aplysia Adp-Ribosyl Cyclase. To be Published
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7CP5
| Bovine heart cytochrome c oxidase in a catalytic intermediate of E at 1.76 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Shimada, A. | Deposit date: | 2020-08-06 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates. J.Biol.Chem., 297, 2021
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8E2R
| Crystal structure of TadAC-1.14 | Descriptor: | GLYCEROL, ZINC ION, tRNA-specific adenosine deaminase 1.14 | Authors: | Feliciano, P.R, Lee, S.J, Ciaramella, G. | Deposit date: | 2022-08-15 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Improved cytosine base editors generated from TadA variants. Nat.Biotechnol., 41, 2023
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2O43
| Structure of 23S rRNA of the large ribosomal subunit from Deinococcus radiodurans in complex with the macrolide erythromycylamine | Descriptor: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY }-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE, 23S rRNA | Authors: | Pyetan, E, Baram, D, Auerbach-Nevo, T, Yonath, A. | Deposit date: | 2006-12-03 | Release date: | 2007-12-04 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Chemical parameters influencing fine tuning in the binding of Macrolide antibiotics to the ribosomal tunnel TO BE PUBLISHED
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8DOD
| Beta-lactamase CTX-M-14 S130A | Descriptor: | Beta-lactamase, POTASSIUM ION | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-07-12 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DP4
| Beta-lactamase CTX-M-14 T235A | Descriptor: | Beta-lactamase | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-07-14 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.402 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DON
| Beta-lactamase CTX-M-14 T215A | Descriptor: | Beta-lactamase, PHOSPHATE ION | Authors: | Lu, S, Palzkill, T. | Deposit date: | 2022-07-13 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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8DPQ
| Beta-lactamase CTX-M-14 N170A | Descriptor: | 1,2-ETHANEDIOL, Beta-lactamase | Authors: | Lu, S, Neetu, N, Palzkill, T. | Deposit date: | 2022-07-15 | Release date: | 2023-04-05 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Mutagenesis and structural analysis reveal the CTX-M beta-lactamase active site is optimized for cephalosporin catalysis and drug resistance. J.Biol.Chem., 299, 2023
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6V01
| structure of human KCNQ1-KCNE3-CaM complex with PIP2 | Descriptor: | CALCIUM ION, Calmodulin-1, Potassium voltage-gated channel subfamily E member 3, ... | Authors: | Mackinnon, R, Sun, J. | Deposit date: | 2019-11-18 | Release date: | 2019-12-04 | Last modified: | 2024-03-20 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structural Basis of Human KCNQ1 Modulation and Gating. Cell, 180, 2020
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7D5W
| Bovine heart cytochrome c oxidase in a catalytic intermediate of O at 1.84 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Shimada, A. | Deposit date: | 2020-09-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates. J.Biol.Chem., 297, 2021
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7D5X
| Bovine heart cytochrome c oxidase in a catalytic intermediate, IO10, at 1.74 angstrom resolution | Descriptor: | (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ... | Authors: | Tsukihara, T, Shimada, A. | Deposit date: | 2020-09-28 | Release date: | 2021-07-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Critical roles of the Cu B site in efficient proton pumping as revealed by crystal structures of mammalian cytochrome c oxidase catalytic intermediates. J.Biol.Chem., 297, 2021
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3SMJ
| Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a pyrimidine-like inhibitor | Descriptor: | 2-methyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, GLYCEROL, Poly [ADP-ribose] polymerase 14 | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-06-28 | Release date: | 2011-07-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors. Nat.Biotechnol., 30, 2012
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6WLW
| The Vo region of human V-ATPase in state 1 (focused refinement) | Descriptor: | (2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid, 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, L, Wu, H, Fu, T.-M. | Deposit date: | 2020-04-20 | Release date: | 2020-11-11 | Last modified: | 2020-11-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structures of a Complete Human V-ATPase Reveal Mechanisms of Its Assembly. Mol.Cell, 80, 2020
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2ZVX
| Structure of a BPTI-[5,55] variant containing Gly/Val at the 14/38th positions | Descriptor: | Pancreatic trypsin inhibitor, SULFATE ION | Authors: | Islam, M.M, Sohya, S, Noguchi, K, Yohda, M, Kuroda, Y. | Deposit date: | 2008-11-24 | Release date: | 2009-10-13 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Thermodynamic and structural analysis of highly stabilized BPTIs by single and double mutations Proteins, 77, 2009
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5YQ7
| Cryo-EM structure of the RC-LH core complex from Roseiflexus castenholzii | Descriptor: | 2-methyl-3-[(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaen-1-yl]naphthalene-1,4-dione, Alpha subunit of light-harvesting 1, BACTERIOCHLOROPHYLL A, ... | Authors: | Shi, Y, Xin, Y.Y, Niu, T.X, Wang, Q.Q, Niu, W.Q, Huang, X.J, Ding, W, Blankenship, R.E, Xu, X.L, Sun, F. | Deposit date: | 2017-11-05 | Release date: | 2018-05-02 | Method: | ELECTRON MICROSCOPY (4.1 Å) | Cite: | Cryo-EM structure of the RC-LH core complex from an early branching photosynthetic prokaryote. Nat Commun, 9, 2018
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3T5L
| Ternary complex of HNE Adduct modified DNA (5'-CXG-3' vs 14-mer) with Dpo4 and incoming dDGT | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*CP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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3T5K
| Ternary complex of HNE Adduct modified DNA (5'-TXG-3' vs 14-mer) with Dpo4 and incoming dDTP | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CALCIUM ION, DNA (5'-D(*CP*AP*TP*(HN0)P*GP*AP*AP*TP*CP*CP*TP*TP*CP*CP*CP*CP*C)-3'), ... | Authors: | Banerjee, S, Christov, P.P, Kozekova, A, Rizzo, C.J, Stone, M.P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Replication bypass of the trans-4-Hydroxynonenal-derived (6S,8R,11S)-1,N(2)-deoxyguanosine DNA adduct by the sulfolobus solfataricus DNA polymerase IV. Chem.Res.Toxicol., 25, 2012
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7Q0Y
| Crystal structure of CTX-M-14 in complex with Bortezomib | Descriptor: | ACETATE ION, Beta-lactamase, CHLORIDE ION, ... | Authors: | Werner, N, Perbandt, M, Hinrichs, W, Prester, A, Rohde, H, Aepfelbacher, M, Betzel, C. | Deposit date: | 2021-10-17 | Release date: | 2022-04-13 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structural basis to repurpose boron-based proteasome inhibitors Bortezomib and Ixazomib as beta-lactamase inhibitors. Sci Rep, 12, 2022
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5EG4
| BOVINE TRYPSIN IN COMPLEX WITH CYCLIC INHIBITOR | Descriptor: | (13S,16R)-N-(4-carbamimidoylbenzyl)-16-((N-cyclohexylsulfamoyl)amino)-3,9,15-trioxo-2,10,14-triaza-6(1,4)-piperazina-1, 11(1,4)-dibenzenacycloheptadecaphane-13-carboxamide, ACETATE ION, ... | Authors: | Knoerlein, A, Wagner, S, Heine, A, Steinmetzer, T, Klebe, G. | Deposit date: | 2015-10-26 | Release date: | 2016-07-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.32 Å) | Cite: | Optimization of Cyclic Plasmin Inhibitors: From Benzamidines to Benzylamines. J.Med.Chem., 59, 2016
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2PQA
| Crystal Structure of Full-length Human RPA 14/32 Heterodimer | Descriptor: | Replication protein A 14 kDa subunit, Replication protein A 32 kDa subunit | Authors: | Deng, X, Borgstahl, G.E. | Deposit date: | 2007-05-01 | Release date: | 2007-11-13 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of the full-length human RPA14/32 complex gives insights into the mechanism of DNA binding and complex formation. J.Mol.Biol., 374, 2007
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4PF8
| CRYSTAL STRUCTURE OF A TRAP PERIPLASMIC SOLUTE BINDING PROTEIN FROM SULFITOBACTER sp. NAS-14.1 (TARGET EFI-510299) WITH BOUND BETA-D-GALACTURONATE | Descriptor: | CHLORIDE ION, TRAP-T family transporter, DctP (Periplasmic binding) subunit, ... | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Whalen, K.L, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-04-28 | Release date: | 2014-05-14 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
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6Y3B
| Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2110 | Descriptor: | 1-[(8~{R},15~{S},18~{S})-15,18-bis(4-azanylbutyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, GLYCEROL, Genome polyprotein, ... | Authors: | Huber, S, Heine, A, Steinmetzer, T. | Deposit date: | 2020-02-18 | Release date: | 2020-07-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Structure-Based Macrocyclization of Substrate Analogue NS2B-NS3 Protease Inhibitors of Zika, West Nile and Dengue viruses. Chemmedchem, 15, 2020
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