8RDZ
 
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8RIY
 | | Human NUDT5 with ibrutinib derivative | | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, ADP-sugar pyrophosphatase | | Authors: | Balikci-Akil, E, Elkins, J.M, Huber, K.V.M. | | Deposit date: | 2023-12-19 | | Release date: | 2024-05-01 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.288 Å) | | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist.
J.Med.Chem., 67, 2024
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2X8B
 | | Crystal structure of human acetylcholinesterase inhibited by aged tabun and complexed with fasciculin-II | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETHYLCHOLINESTERASE, CHLORIDE ION, ... | | Authors: | Carletti, E, Colletier, J.P, Nachon, F. | | Deposit date: | 2010-03-08 | | Release date: | 2010-04-28 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structural evidence that human acetylcholinesterase inhibited by tabun ages through O-dealkylation.
J. Med. Chem., 53, 2010
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8S86
 | | human PLD3 homodimer structure | | Descriptor: | 5'-3' exonuclease PLD3 | | Authors: | Lammens, K. | | Deposit date: | 2024-03-05 | | Release date: | 2024-05-15 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Lysosomal endonuclease RNase T2 and PLD exonucleases cooperatively generate RNA ligands for TLR7 activation.
Immunity, 57, 2024
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1A2A
 | | AGKISTROTOXIN, A PHOSPHOLIPASE A2-TYPE PRESYNAPTIC NEUROTOXIN FROM AGKISTRODON HALYS PALLAS | | Descriptor: | CHLORIDE ION, PHOSPHOLIPASE A2 | | Authors: | Tang, L, Zhou, Y, Lin, Z. | | Deposit date: | 1997-12-25 | | Release date: | 1999-01-13 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Crystal structure of agkistrodotoxin, a phospholipase A2-type presynaptic neurotoxin from agkistrodon halys pallas.
J.Mol.Biol., 282, 1998
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7ZM1
 | | Crystal structure of HsaD from Mycobacterium tuberculosis in complex with Cyclophostin-like inhibitor CyC7b | | Descriptor: | 4,5:9,10-diseco-3-hydroxy-5,9,17-trioxoandrosta-1(10),2-diene-4-oate hydrolase, SULFATE ION, methoxy-[(~{E},3~{R})-3-[(2~{R})-1-methoxy-1,3-bis(oxidanylidene)butan-2-yl]tridec-11-enyl]phosphinous acid | | Authors: | Barelier, S, Roig-Zamboni, V, Cavalier, J.F, Sulzenbacher, G. | | Deposit date: | 2022-04-19 | | Release date: | 2022-09-28 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Direct capture, inhibition and crystal structure of HsaD (Rv3569c) from M. tuberculosis.
Febs J., 290, 2023
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2WN9
 | | Crystal structure of Aplysia ACHBP in complex with 4-0H-DMXBA | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(E)-5,6-DIHYDRO-2,3'-BIPYRIDIN-3(4H)-YLIDENEMETHYL]-3-METHOXYPHENOL, SOLUBLE ACETYLCHOLINE RECEPTOR, ... | | Authors: | Sulzenbacher, G, Hibbs, R, Shi, J, Talley, T, Conrod, S, Kem, W, Taylor, P, Marchot, P, Bourne, Y. | | Deposit date: | 2009-07-07 | | Release date: | 2009-09-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural determinants for interaction of partial agonists with acetylcholine binding protein and neuronal alpha7 nicotinic acetylcholine receptor.
Embo J., 28, 2009
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7ZGO
 | | Cryo-EM structure of human NKCC1 (TM domain) | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Nissen, P, Fenton, R, Neumann, C, Lindtoft Rosenbaek, L, Kock Flygaard, R, Habeck, M, Lykkegaard Karlsen, J, Wang, Y, Lindorff-Larsen, K, Gad, H, Hartmann, R, Lyons, J. | | Deposit date: | 2022-04-04 | | Release date: | 2022-10-05 | | Last modified: | 2024-09-25 | | Method: | ELECTRON MICROSCOPY (2.55 Å) | | Cite: | Cryo-EM structure of the human NKCC1 transporter reveals mechanisms of ion coupling and specificity.
Embo J., 41, 2022
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2YE0
 | | X-ray structure of the cyan fluorescent protein mTurquoise (K206A mutant) | | Descriptor: | GREEN FLUORESCENT PROTEIN | | Authors: | von Stetten, D, Goedhart, J, Noirclerc-Savoye, M, Lelimousin, M, Joosen, L, Hink, M.A, van Weeren, L, Gadella, T.W.J, Royant, A. | | Deposit date: | 2011-03-25 | | Release date: | 2012-03-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Structure-Guided Evolution of Cyan Fluorescent Proteins Towards a Quantum Yield of 93%
Nat.Commun, 3, 2012
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8SG2
 | | BIVALENT INTERACTIONS OF PIN1 WITH THE C-TERMINAL TAIL OF PKC | | Descriptor: | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1, Protein kinase C beta type | | Authors: | Dixit, K, Yang, Y, Chen, X.R, Igumenova, T.I. | | Deposit date: | 2023-04-11 | | Release date: | 2024-05-08 | | Last modified: | 2024-05-15 | | Method: | SOLUTION NMR | | Cite: | A novel bivalent interaction mode underlies a non-catalytic mechanism for Pin1-mediated protein kinase C regulation.
Elife, 13, 2024
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2WYG
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with monoaryl P4 motifs | | Descriptor: | (E)-2-(5-CHLOROTHIOPHEN-2-YL)-N-[(3S)-1-{4-[(1R)-1-(DIMETHYLAMINO)ETHYL]-2-FLUOROPHENYL}-2-OXOPYRROLIDIN-3-YL]ETHENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, FACTOR X LIGHT CHAIN | | Authors: | Kleanthous, S, Borthwick, A.D, Brown, D, Burns-Kurtis, C.L, Campbell, M, Chaudry, L, Chan, C, Clarte, M, Convery, M.A, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Pateman, A.J, Patikis, A, Pinto, I.L, Pollard, D.R, Roethka, T.J, Senger, S, Shah, G.P, Stelman, G.J, Toomey, J.R, Watson, N.S, Whittaker, C, Zhou, P, Young, R.J. | | Deposit date: | 2009-11-16 | | Release date: | 2010-12-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Monoaryl P4 Motifs
Bioorg.Med.Chem.Lett., 20, 2010
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8RPY
 | | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api137 | | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 137, ... | | Authors: | Lauer, S, Nikolay, R, Spahn, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.64 Å) | | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
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2WJL
 | | Bacteriorhodopsin mutant E194D | | Descriptor: | Bacteriorhodopsin, RETINAL | | Authors: | Potschies, M, Wolf, S, Freier, E, Hofmann, E, Gerwert, K. | | Deposit date: | 2009-05-27 | | Release date: | 2010-08-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Directional proton transfer in membrane proteins achieved through protonated protein-bound water molecules: a proton diode.
Angew. Chem. Int. Ed. Engl., 49, 2010
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8RQ0
 | | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation II | | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ... | | Authors: | Lauer, S, Nikolay, R, Spahn, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
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2YLR
 | | SNAPSHOTS OF ENZYMATIC BAEYER-VILLIGER CATALYSIS: OXYGEN ACTIVATION AND INTERMEDIATE STABILIZATION: COMPLEX WITH NADP | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, PHENYLACETONE MONOOXYGENASE | | Authors: | Orru, R, Dudek, H.M, Martinoli, C, Torres Pazmino, D.E, Royant, A, Weik, M, Fraaije, M.W, Mattevi, A. | | Deposit date: | 2011-06-06 | | Release date: | 2011-06-22 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Snapshots of Enzymatic Baeyer-Villiger Catalysis: Oxygen Activation and Intermediate Stabilization.
J.Biol.Chem., 286, 2011
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2Y82
 | | Structure and property based design of factor Xa inhibitors: pyrrolidin-2-ones with aminoindane and phenylpyrrolidine P4 motifs | | Descriptor: | 6-CHLORO-N-((3S)-2-OXO-1-{4-[(2S)-2-PYRROLIDINYL]PHENYL}-3-PYRROLIDINYL)-2-NAPHTHALENESULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | | Authors: | Young, R.J, Adams, C, Blows, M, Brown, D, Burns-Kurtis, C.L, Chaudry, L, Chan, C, Convery, M.A, Davies, D.E, Exall, A.M, Foster, G, Harling, J.D, Hortense, E, Irving, W.R, Irvine, S, Jackson, S, Kleanthous, S, Pateman, A.J, Patikis, A.N, Roethka, T.J, Senger, S, Stelman, G.J, Toomey, J.R, West, R.I, Whittaker, C, Zhou, P, Watson, N.S. | | Deposit date: | 2011-02-02 | | Release date: | 2011-03-16 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure and Property Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Aminoindane and Phenylpyrrolidine P4 Motifs.
Bioorg.Med.Chem.Lett., 21, 2011
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8R8K
 | | XBB-4 Fab in complex with SARS-CoV-2 BA.2.12.1 Spike Glycoprotein | | Descriptor: | Spike glycoprotein,Fibritin, XBB-4 Fab Heavy chain, XBB-4 Fab Light chain | | Authors: | Duyvesteyn, H.M.E, Ren, J, Stuart, D.I. | | Deposit date: | 2023-11-29 | | Release date: | 2024-05-08 | | Last modified: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
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2WIJ
 | | NONAGED FORM OF HUMAN BUTYRYLCHOLINESTERASE INHIBITED BY TABUN ANALOGUE TA5 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Carletti, E, Aurbek, N, Gillon, E, Loiodice, M, Nicolet, Y, Fontecilla, J, Masson, P, Thiermann, H, Nachon, F, Worek, F. | | Deposit date: | 2009-05-12 | | Release date: | 2009-05-19 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-activity analysis of aging and reactivation of human butyrylcholinesterase inhibited by analogues of tabun.
Biochem. J., 421, 2009
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8RQ2
 | | Escherichia coli 50S subunit in complex with the antimicrobial peptide Api88 - conformation III | | Descriptor: | 23S ribosomal RNA, 5S ribosomal RNA, Apidaecins type 88, ... | | Authors: | Lauer, S, Nikolay, R, Spahn, C. | | Deposit date: | 2024-01-17 | | Release date: | 2024-05-22 | | Last modified: | 2024-10-09 | | Method: | ELECTRON MICROSCOPY (2.44 Å) | | Cite: | Multimodal binding and inhibition of bacterial ribosomes by the antimicrobial peptides Api137 and Api88.
Nat Commun, 15, 2024
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2YSC
 | | Solution structure of the WW domain from the human amyloid beta A4 precursor protein-binding family B member 3, APBB3 | | Descriptor: | Amyloid beta A4 precursor protein-binding family B member 3 | | Authors: | Ohnishi, S, Yoneyama, M, Koshiba, S, Harada, T, Watanabe, S, Kigawa, T, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2007-04-03 | | Release date: | 2008-04-08 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution structure of the WW domain from the human amyloid beta A4 precursor protein-binding family B member 3, APBB3
To be Published
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2YE1
 | | X-ray structure of the cyan fluorescent proteinmTurquoise-GL (K206A mutant) | | Descriptor: | GREEN FLUORESCENT PROTEIN, MAGNESIUM ION | | Authors: | von Stetten, D, Noirclerc-Savoye, M, Goedhart, J, Gadella, T.W.J, Royant, A. | | Deposit date: | 2011-03-25 | | Release date: | 2012-04-11 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Structural Characterization of the Cyan Fluorescent Protein Mturquoise-Gl
To be Published
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8SMM
 | | Xenopus laevis hyaluronan synthase 1 | | Descriptor: | Fab15 heavy chain, Fab15 light chain, Hyaluronan synthase 1 | | Authors: | Gorniak, I, Zimmer, J. | | Deposit date: | 2023-04-26 | | Release date: | 2024-05-01 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Atomistic insights into hyaluronan synthesis, secretion, and length control
To Be Published
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1AFS
 | | RECOMBINANT RAT LIVER 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE (3-ALPHA-HSD) COMPLEXED WITH NADP AND TESTOSTERONE | | Descriptor: | 3-ALPHA-HYDROXYSTEROID DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TESTOSTERONE | | Authors: | Bennett, M.J, Albert, R.H, Jez, J.M, Ma, H, Penning, T.M, Lewis, M. | | Deposit date: | 1997-03-13 | | Release date: | 1997-10-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Steroid recognition and regulation of hormone action: crystal structure of testosterone and NADP+ bound to 3 alpha-hydroxysteroid/dihydrodiol dehydrogenase.
Structure, 5, 1997
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1AHW
 | | A COMPLEX OF EXTRACELLULAR DOMAIN OF TISSUE FACTOR WITH AN INHIBITORY FAB (5G9) | | Descriptor: | IMMUNOGLOBULIN FAB 5G9 (HEAVY CHAIN), IMMUNOGLOBULIN FAB 5G9 (LIGHT CHAIN), TISSUE FACTOR | | Authors: | Huang, M, Syed, R, Stura, E.A, Stone, M.J, Stefanko, R.S, Ruf, W, Edgington, T.S, Wilson, I.A. | | Deposit date: | 1997-04-10 | | Release date: | 1998-02-25 | | Last modified: | 2023-08-02 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The mechanism of an inhibitory antibody on TF-initiated blood coagulation revealed by the crystal structures of human tissue factor, Fab 5G9 and TF.5G9 complex.
J.Mol.Biol., 275, 1998
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1AJ9
 | | R-STATE HUMAN CARBONMONOXYHEMOGLOBIN ALPHA-A53S | | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN (ALPHA CHAIN), HEMOGLOBIN (BETA CHAIN), ... | | Authors: | Vasquez, G.B, Ji, X, Fronticelli, C, Gilliland, G.L. | | Deposit date: | 1997-05-16 | | Release date: | 1998-05-20 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human carboxyhemoglobin at 2.2 A resolution: structure and solvent comparisons of R-state, R2-state and T-state hemoglobins.
Acta Crystallogr.,Sect.D, 54, 1998
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