6ZTJ
| E. coli 70S-RNAP expressome complex in NusG-coupled state (38 nt intervening mRNA) | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S1, ... | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | Deposit date: | 2020-07-20 | Release date: | 2020-09-16 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structural basis of transcription-translation coupling and collision in bacteria. Science, 369, 2020
|
|
6NRI
| Crystal Structure of human PARP-1 ART domain bound to inhibitor UTT83 | Descriptor: | (2Z)-2-{[4-(3-cyclopropyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazine-7(8H)-carbonyl)phenyl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-7-carboxamide, CHLORIDE ION, CITRIC ACID, ... | Authors: | Langelier, M.F, Pascal, J.M. | Deposit date: | 2019-01-23 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity. J.Med.Chem., 62, 2019
|
|
6ZGM
| Crystal Structure of the VIM-2 Acquired Metallo-beta-Lactamase in Complex with the thiazolecarboxylate inhibitor ANT2681 | Descriptor: | 5-[[4-(carbamimidamidocarbamoylamino)-3,5-bis(fluoranyl)phenyl]sulfonylamino]-1,3-thiazole-4-carboxylic acid, ACETATE ION, Metallo-beta-lactamase VIM-2-like protein, ... | Authors: | Docquier, J.D, Pozzi, C, Marcoccia, F, De Luca, F, Benvenuti, M, Mangani, S. | Deposit date: | 2020-06-19 | Release date: | 2020-09-02 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | ANT2681: SAR Studies Leading to the Identification of a Metallo-beta-lactamase Inhibitor with Potential for Clinical Use in Combination with Meropenem for the Treatment of Infections Caused by NDM-ProducingEnterobacteriaceae. Acs Infect Dis., 6, 2020
|
|
7AAB
| Crystal structure of the catalytic domain of human PARP1 in complex with inhibitor EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Poly [ADP-ribose] polymerase 1, SULFATE ION | Authors: | Schimpl, M, Ogden, T.E.H, Yang, J.-C, Easton, L.E, Underwood, E, Rawlins, P.B, Johannes, J.W, Embrey, K.J, Neuhaus, D. | Deposit date: | 2020-09-04 | Release date: | 2021-01-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Dynamics of the HD regulatory subdomain of PARP-1; substrate access and allostery in PARP activation and inhibition. Nucleic Acids Res., 49, 2021
|
|
2A62
| Crystal structure of mouse cadherin-8 EC1-3 | Descriptor: | CALCIUM ION, Cadherin-8 | Authors: | Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Arkus, N, Schieren, I, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L. | Deposit date: | 2005-07-01 | Release date: | 2006-04-25 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Type II cadherin ectodomain structures: implications for classical cadherin specificity. Cell(Cambridge,Mass.), 124, 2006
|
|
6ZIK
| bovine ATP synthase rotor domain, state 3 | Descriptor: | ATP synthase F(0) complex subunit C2, mitochondrial, ATP synthase subunit delta, ... | Authors: | Spikes, T, Montgomery, M.G, Walker, J.E. | Deposit date: | 2020-06-26 | Release date: | 2020-09-09 | Last modified: | 2020-09-30 | Method: | ELECTRON MICROSCOPY (3.66 Å) | Cite: | Structure of the dimeric ATP synthase from bovine mitochondria. Proc.Natl.Acad.Sci.USA, 117, 2020
|
|
6YSU
| Structure of the P+0 ArfB-ribosome complex in the post-hydrolysis state | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Chan, K.-H, Petrychenko, V, Mueller, C, Maracci, C, Holtkamp, W, Wilson, D.N, Fischer, N, Rodnina, M.V. | Deposit date: | 2020-04-23 | Release date: | 2020-08-19 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Mechanism of ribosome rescue by alternative ribosome-rescue factor B. Nat Commun, 11, 2020
|
|
7A6H
| Cryo-EM structure of human apo RNA Polymerase III | Descriptor: | DNA-directed RNA polymerase III subunit RPC1, DNA-directed RNA polymerase III subunit RPC10, DNA-directed RNA polymerase III subunit RPC2, ... | Authors: | Girbig, M, Misiaszek, A.D, Vorlaender, M.K, Mueller, C.W. | Deposit date: | 2020-08-25 | Release date: | 2021-02-03 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM structures of human RNA polymerase III in its unbound and transcribing states. Nat.Struct.Mol.Biol., 28, 2021
|
|
6R70
| Endogeneous native human 20S proteasome | Descriptor: | Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, Proteasome subunit alpha type-3, ... | Authors: | Schmidli, C, Albiez, S, Rima, L, Righetto, R, Mohammed, I, Oliva, P, Kovacik, L, Stahlberg, H, Braun, T. | Deposit date: | 2019-03-28 | Release date: | 2019-07-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Microfluidic protein isolation and sample preparation for high-resolution cryo-EM. Proc.Natl.Acad.Sci.USA, 116, 2019
|
|
6ZU1
| E. coli 70S-RNAP expressome complex in uncoupled state 2 | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | Authors: | Webster, M.W, Takacs, M, Weixlbaumer, A. | Deposit date: | 2020-07-21 | Release date: | 2020-09-16 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Structural basis of transcription-translation coupling and collision in bacteria. Science, 369, 2020
|
|
2ALZ
| Ternary Complex of hPoli with DNA and dCTP | Descriptor: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, 5'-D(*AP*GP*GP*AP*CP*CP*(DOC))-3', 5'-D(*TP*GP*GP*GP*GP*TP*CP*CP*T)-3', ... | Authors: | Nair, D.T, Johnson, R.E, Prakash, L, Prakash, S, Aggarwal, A.K. | Deposit date: | 2005-08-08 | Release date: | 2005-10-25 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Human DNA Polymerase iota Incorporates dCTP Opposite Template G via a G.C+ Hoogsteen Base Pair. Structure, 13, 2005
|
|
2F12
| Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor | Descriptor: | 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2 | Authors: | Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | Deposit date: | 2005-11-14 | Release date: | 2006-11-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor To be Published
|
|
6NSZ
| X-ray reduced Catalase 3 from N.Crassa (0.526 MGy) | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Catalase-3, ... | Authors: | Zarate-Romero, A, Rudino-Pinera, E, Stojanoff, V. | Deposit date: | 2019-01-27 | Release date: | 2019-05-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | X-ray driven reduction of Cpd I of Catalase-3 from N. crassa reveals differential sensitivity of active sites and formation of ferrous state. Arch.Biochem.Biophys., 666, 2019
|
|
2EWE
| |
6O1C
| |
2B35
| Crystal structure of Mycobacterium tuberculosis enoyl reductase (InhA) inhibited by triclosan | Descriptor: | Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN | Authors: | Sullivan, T.J, Truglio, J.J, Novichenok, P, Stratton, C, Zhang, X, Kaur, T, Johnson, F, Boyne, M.S, Amin, A. | Deposit date: | 2005-09-19 | Release date: | 2006-03-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | High Affinity InhA Inhibitors with Activity against Drug-Resistant Strains
of Mycobacterium tuberculosis ACS Chem.Biol., 1, 2006
|
|
7BOW
| |
2F6T
| Protein tyrosine phosphatase 1B with sulfamic acid inhibitors | Descriptor: | 3(S)-METHYLCARBAMOYL-7-SULFOAMINO-3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Evdokimov, A.G, Pokross, M.E, Klopfenstein, S.R. | Deposit date: | 2005-11-29 | Release date: | 2005-12-13 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 1,2,3,4-Tetrahydroisoquinolinyl sulfamic acids as phosphatase PTP1B inhibitors Bioorg.Med.Chem.Lett., 16, 2006
|
|
7BOT
| Human SIRT2 in complex with myristoyl thiourea inhibitor, No.23 | Descriptor: | N-dodecylmethanethioamide, NAD-dependent protein deacetylase sirtuin-2, ZINC ION, ... | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration. Rsc Chem Biol, 2, 2021
|
|
6NJQ
| Structure of TBP-Hoogsteen containing DNA complex | Descriptor: | DNA (5'-D(*GP*CP*TP*AP*TP*AP*AP*AP*CP*GP*GP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*CP*CP*GP*TP*TP*TP*AP*TP*AP*GP*C)-3'), TATA-box-binding protein 1 | Authors: | Schumacher, M.A, Stelling, A. | Deposit date: | 2019-01-04 | Release date: | 2019-10-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Infrared Spectroscopic Observation of a G-C+Hoogsteen Base Pair in the DNA:TATA-Box Binding Protein Complex Under Solution Conditions. Angew.Chem.Int.Ed.Engl., 58, 2019
|
|
6SNH
| Cryo-EM structure of yeast ALG6 in complex with 6AG9 Fab and Dol25-P-Glc | Descriptor: | 6AG9 Fab heavy chain, 6AG9 Fab light chain, Dolichyl pyrophosphate Man9GlcNAc2 alpha-1,3-glucosyltransferase, ... | Authors: | Bloch, J.S, Pesciullesi, G, Boilevin, J, Nosol, K, Irobalieva, R.N, Darbre, T, Aebi, M, Kossiakoff, A.A, Reymond, J.L, Locher, K.P. | Deposit date: | 2019-08-24 | Release date: | 2020-03-11 | Last modified: | 2020-04-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | Structure and mechanism of the ER-based glucosyltransferase ALG6. Nature, 579, 2020
|
|
2F8K
| Sequence specific recognition of RNA hairpins by the SAM domain of Vts1 | Descriptor: | 5'-R(*UP*AP*AP*UP*CP*UP*UP*UP*GP*AP*CP*AP*GP*AP*UP*U)-3', Protein VTS1 | Authors: | Aviv, T, Lin, Z, Ben-Ari, G, Smibert, C.A, Sicheri, F. | Deposit date: | 2005-12-02 | Release date: | 2006-01-24 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Sequence-specific recognition of RNA hairpins by the SAM domain of Vts1p. Nat.Struct.Mol.Biol., 13, 2006
|
|
6NLJ
| 1.65 A resolution structure of Apo BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 12) | Descriptor: | 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, Ferroxidase, POTASSIUM ION | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
|
|
2F27
| Crystal Structure of the Human Sialidase Neu2 E111Q-Q112E Double Mutant in Complex with DANA Inhibitor | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Sialidase 2 | Authors: | Chavas, L.M.G, Kato, R, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S. | Deposit date: | 2005-11-15 | Release date: | 2006-11-21 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Crystal Structure of the Human Sialidase Neu2 E111Q-Q112E Double Mutant in Complex with DANA Inhibitor To be Published
|
|
7BOS
| Human SIRT2 in complex with myristoyl thiourea inhibitor, No.13 | Descriptor: | Myristoyl thiourea inhibitor, No.13, N-dodecylmethanethioamide, ... | Authors: | Kudo, N, Olsen, C.A, Minoru, Y. | Deposit date: | 2020-03-19 | Release date: | 2021-03-24 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Mechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of alpha-tubulin acetylation and inhibition of breast cancer cell migration. Rsc Chem Biol, 2, 2021
|
|