7GQU
 
 | | Crystal Structure of Werner helicase fragment 517-945 in covalent complex with N-[(E,1S)-1-cyclopropyl-3-methylsulfonylprop-2-enyl]-2-(1,1-difluoroethyl)-4-phenoxypyrimidine-5-carboxamide | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, GLYCEROL, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Tagliente, O, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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5V52
 | | Structure of TIGIT bound to nectin-2 (CD112) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Nectin-2, ... | | Authors: | Deuss, F.A, Gully, B.S, Rossjohn, J, Berry, R. | | Deposit date: | 2017-03-13 | | Release date: | 2017-05-24 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Recognition of nectin-2 by the natural killer cell receptor T cell immunoglobulin and ITIM domain (TIGIT).
J. Biol. Chem., 292, 2017
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2NY7
 | | HIV-1 gp120 Envelope Glycoprotein Complexed with the Broadly Neutralizing CD4-Binding-Site Antibody b12 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ANTIBODY b12, HEAVY CHAIN, ... | | Authors: | Zhou, T, Xu, L, Dey, B, Hessell, A.J, Van Ryk, D, Xiang, S.H, Yang, X, Zhang, M.Y, Zwick, M.B, Arthos, J, Burton, D.R, Dimitrov, D.S, Sodroski, J, Wyatt, R, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2006-11-20 | | Release date: | 2007-02-06 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural definition of a conserved neutralization epitope on HIV-1 gp120.
Nature, 445, 2007
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5V2Z
 | | Ethylene forming enzyme in complex with manganese, 2-oxoadipic acid and L-arginine | | Descriptor: | 2-OXOADIPIC ACID, 2-oxoglutarate-dependent ethylene/succinate-forming enzyme, ARGININE, ... | | Authors: | Fellner, M, Martinez, S, Hu, J, Hausinger, R.P. | | Deposit date: | 2017-03-06 | | Release date: | 2017-08-16 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.23 Å) | | Cite: | Structures and Mechanisms of the Non-Heme Fe(II)- and 2-Oxoglutarate-Dependent Ethylene-Forming Enzyme: Substrate Binding Creates a Twist.
J. Am. Chem. Soc., 139, 2017
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3B3M
 | | Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol | | Descriptor: | 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2007-10-22 | | Release date: | 2008-07-15 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
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7GQS
 | | Crystal Structure of Werner helicase fragment 517-945 in complex with ADP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-DIPHOSPHATE, Bifunctional 3'-5' exonuclease/ATP-dependent helicase WRN, ... | | Authors: | Classen, M, Benz, J, Brugger, D, Rudolph, M.G. | | Deposit date: | 2023-10-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Chemoproteomic discovery of a covalent allosteric inhibitor of WRN helicase.
Nature, 629, 2024
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2O18
 | | Crystal structure of a Thiamine biosynthesis lipoprotein apbE, NorthEast Strcutural Genomics target ER559 | | Descriptor: | CALCIUM ION, Thiamine biosynthesis lipoprotein apbE | | Authors: | Seetharaman, J, Su, M, Wang, D, Fang, Y, Cunningham, K, Ma, L, Xiao, R, Liu, J, Baran, M.C, Acton, T.B, Rost, B, Montelione, G.T, Hunt, J.F, Tong, L, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-11-28 | | Release date: | 2006-12-05 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of a Thiamine biosynthesis lipoprotein apbE
To be Published
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6OSK
 | | RF1 accommodated 70S complex at 60 ms | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fu, Z, Indrisiunaite, G, Kaledhonkar, S, Shah, B, Sun, M, Chen, B, Grassucci, R.A, Ehrenberg, M, Frank, J. | | Deposit date: | 2019-05-01 | | Release date: | 2019-06-26 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | The structural basis for release-factor activation during translation termination revealed by time-resolved cryogenic electron microscopy.
Nat Commun, 10, 2019
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8BSA
 | | Vc1313-LBD bound to D-arginine | | Descriptor: | D-ARGININE, Methyl-accepting chemotaxis protein | | Authors: | ter Beek, J, Berntsson, R.P.-A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-06-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
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7UPH
 | | Structure of a ribosome with tethered subunits | | Descriptor: | 30S ribosomal protein S10, 30S ribosomal protein S11, 30S ribosomal protein S12, ... | | Authors: | Kim, D.S, Watkins, A, Bidstrup, E, Lee, J, Topkar, V.V, Kofman, C, Schwarz, K.J, Liu, Y, Pintilie, G, Roney, E, Das, R, Jewett, M.C. | | Deposit date: | 2022-04-15 | | Release date: | 2022-08-17 | | Last modified: | 2022-08-31 | | Method: | ELECTRON MICROSCOPY (4.18 Å) | | Cite: | Three-dimensional structure-guided evolution of a ribosome with tethered subunits.
Nat.Chem.Biol., 18, 2022
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6OW0
 | | Crystal structure of mithramycin 3-side chain keto-reductase MtmW in complex with NAD+ and PEG | | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, MtmW, ... | | Authors: | Hou, C, Yu, X, Rohr, J, Tsodikov, O.V. | | Deposit date: | 2019-05-08 | | Release date: | 2019-11-27 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Discovery of a Cryptic Intermediate in Late Steps of Mithramycin Biosynthesis.
Angew.Chem.Int.Ed.Engl., 59, 2020
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8BSB
 | | Vc1313-LBD bound to D-lysine | | Descriptor: | D-LYSINE, Methyl-accepting chemotaxis protein | | Authors: | ter Beek, J, Berntsson, R.P.-A. | | Deposit date: | 2022-11-24 | | Release date: | 2023-06-07 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | D-amino acids signal a stress-dependent run-away response in Vibrio cholerae.
Nat Microbiol, 8, 2023
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1B9G
 | | INSULIN-LIKE-GROWTH-FACTOR-1 | | Descriptor: | PROTEIN (GROWTH FACTOR IGF-1) | | Authors: | De Wolf, E, Gill, R, Geddes, S, Pitts, J, Wollmer, A, Grotzinger, J. | | Deposit date: | 1999-02-11 | | Release date: | 1999-02-23 | | Last modified: | 2023-12-27 | | Method: | SOLUTION NMR | | Cite: | Solution structure of a mini IGF-1.
Protein Sci., 5, 1996
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3ZVA
 | | 3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 75 | | Descriptor: | 3C PROTEASE, ETHYL (4R)-4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE | | Authors: | Tan, J, Perbandt, M, Mesters, J.R, Hilgenfeld, R. | | Deposit date: | 2011-07-24 | | Release date: | 2012-08-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 3C Protease of Enterovirus 68: Structure-Based Design of Michael Acceptor Inhibitors and Their Broad-Spectrum Antiviral Effects Against Picornaviruses.
J.Virol., 87, 2013
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5V9P
 | | Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A | | Descriptor: | Lysine-specific demethylase 5A, NICKEL (II) ION, SULFATE ION, ... | | Authors: | Kiefer, J.R, Liang, J, Vinogradova, M. | | Deposit date: | 2017-03-23 | | Release date: | 2017-05-10 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | From a novel HTS hit to potent, selective, and orally bioavailable KDM5 inhibitors.
Bioorg. Med. Chem. Lett., 27, 2017
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8B48
 | | Structure of Lentithecium fluviatile carbohydrate esterase from the CE15 family (LfCE15C) | | Descriptor: | Carbohydrate esterase family 15 protein, FORMIC ACID, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Scholzen, K, Mazurkewich, S, Poulsen, J.C.N, Larsbrink, J, Lo Leggio, L. | | Deposit date: | 2022-09-20 | | Release date: | 2023-06-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural and functional investigation of a fungal member of carbohydrate esterase family 15 with potential specificity for rare xylans.
Acta Crystallogr D Struct Biol, 79, 2023
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5XWY
 | | Electron cryo-microscopy structure of LbuCas13a-crRNA binary complex | | Descriptor: | A type VI-A CRISPR-Cas RNA-guided RNA ribonuclease, Cas13a, RNA (59-MER) | | Authors: | Zhang, X, Wang, Y, Ma, J, Liu, L, Li, X, Li, Z, You, L, Wang, J, Wang, M. | | Deposit date: | 2017-06-30 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | The Molecular Architecture for RNA-Guided RNA Cleavage by Cas13a.
Cell, 170, 2017
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2VWZ
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION, N-[3-[[4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL]AMINO]PHENYL]METHANESULFONAMIDE | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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2NWM
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8BGU
 | | human MDM2-5S RNP | | Descriptor: | 5S rRNA, 60S ribosomal protein L11, 60S ribosomal protein L5, ... | | Authors: | Castillo, N, Thoms, M, Flemming, D, Hammaren, H.M, Buschauer, R, Ameismeier, M, Bassler, J, Beck, M, Beckmann, R, Hurt, E. | | Deposit date: | 2022-10-28 | | Release date: | 2023-06-14 | | Last modified: | 2023-08-30 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structure of nascent 5S RNPs at the crossroad between ribosome assembly and MDM2-p53 pathways.
Nat.Struct.Mol.Biol., 30, 2023
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2VX1
 | | ephB4 kinase domain inhibitor complex | | Descriptor: | 3-({4-[(5-CHLORO-1,3-BENZODIOXOL-4-YL)AMINO]PYRIMIDIN-2-YL}AMINO)BENZAMIDE, EPHRIN TYPE-B RECEPTOR 4, MAGNESIUM ION | | Authors: | Read, J, Brassington, C.A, Green, I, McCall, E.J, Valentine, A.L, Barratt, D, Leach, A.G, Kettle, J.G. | | Deposit date: | 2008-06-30 | | Release date: | 2008-10-28 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Inhibitors of the Tyrosine Kinase Ephb4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines.
Bioorg.Med.Chem.Lett., 18, 2008
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5VBN
 | | Crystal Structure of human DNA polymerase epsilon B-subunit in complex with C-terminal domain of catalytic subunit | | Descriptor: | DNA polymerase epsilon catalytic subunit A, DNA polymerase epsilon subunit 2, SULFATE ION, ... | | Authors: | Baranovskiy, A.G, Gu, J, Suwa, Y, Babayeva, N.D, Tahirov, T.H. | | Deposit date: | 2017-03-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Crystal structure of the human Pol B-subunit in complex with the C-terminal domain of the catalytic subunit.
J. Biol. Chem., 292, 2017
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1M5L
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7UOL
 | | Endogenous dihydrolipoamide succinyltransferase (E2) core of 2-oxoglutarate dehydrogenase complex from bovine kidney | | Descriptor: | Dihydrolipoyllysine-residue succinyltransferase component of 2-oxoglutarate dehydrogenase complex, mitochondrial | | Authors: | Liu, S, Xia, X, Zhen, J, Li, Z.H, Zhou, Z.H. | | Deposit date: | 2022-04-13 | | Release date: | 2022-11-30 | | Last modified: | 2024-06-12 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structures and comparison of endogenous 2-oxoglutarate and pyruvate dehydrogenase complexes from bovine kidney.
Cell Discov, 8, 2022
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6OZ7
 | | Putative oxidoreductase from Escherichia coli str. K-12 | | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, TRIETHYLENE GLYCOL, ... | | Authors: | Osipiuk, J, Skarina, T, Mesa, N, Endres, M, Savchenko, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-05-15 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Putative oxidoreductase from Escherichia coli str. K-12
to be published
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