3PI5
 
 | | Crystal Structure of Human Beta Secretase in Complex with BFG356 | | Descriptor: | (3S,4S,5R)-3-(3-bromo-4-hydroxybenzyl)-5-[(3-cyclopropylbenzyl)amino]tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M. | | Deposit date: | 2010-11-05 | | Release date: | 2011-03-23 | | Last modified: | 2017-03-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structure based design, synthesis and SAR of cyclic hydroxyethylamine (HEA) BACE-1 inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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4Z4B
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4ZRM
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4ZRN
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4Z98
 | | Crystal Structure of Hen Egg White Lysozyme using Serial X-ray Diffraction Data Collection | | Descriptor: | ACETATE ION, Lysozyme C | | Authors: | Murray, T.D, Lyubimov, A.Y, Ogata, C.M, Uervirojnangkoorn, M, Brunger, A.T, Berger, J.M. | | Deposit date: | 2015-04-10 | | Release date: | 2015-10-14 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | A high-transparency, micro-patternable chip for X-ray diffraction analysis of microcrystals under native growth conditions.
Acta Crystallogr. D Biol. Crystallogr., 71, 2015
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4ZI9
 | | Structure of mouse clustered PcdhgA1 EC1-3 | | Descriptor: | CALCIUM ION, MCG133388, isoform CRA_t | | Authors: | Nicoludis, J.M, Lau, S.-Y, Scharfe, C.P.I, Marks, D.S, Weihofen, W.A, Gaudet, R. | | Deposit date: | 2015-04-27 | | Release date: | 2015-10-28 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structure and Sequence Analyses of Clustered Protocadherins Reveal Antiparallel Interactions that Mediate Homophilic Specificity.
Structure, 23, 2015
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4Z87
 | | Structure of the IMP dehydrogenase from Ashbya gossypii bound to GDP | | Descriptor: | ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, ... | | Authors: | Buey, R.M, de Pereda, J.M, Revuelta, J.L. | | Deposit date: | 2015-04-08 | | Release date: | 2015-11-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Guanine nucleotide binding to the Bateman domain mediates the allosteric inhibition of eukaryotic IMP dehydrogenases.
Nat Commun, 6, 2015
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4ZIR
 | | Crystal structure of EcfAA' heterodimer bound to AMPPNP | | Descriptor: | CHLORIDE ION, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ... | | Authors: | Karpowich, N.K, Cocco, N, Song, J.M, Wang, D.N. | | Deposit date: | 2015-04-28 | | Release date: | 2015-06-10 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | ATP binding drives substrate capture in an ECF transporter by a release-and-catch mechanism.
Nat.Struct.Mol.Biol., 22, 2015
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6TYK
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3VF3
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BQQ711 | | Descriptor: | (3S,4S,5R)-3-(4-amino-3-bromo-5-fluorobenzyl)-5-{[3-(1,1-difluoroethyl)benzyl]amino}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-09 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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3VG1
 | | Crystal Structure of Human Beta Secretase in Complex with NVP-BUR436, derived from a soaking experiment | | Descriptor: | (3R,4S,5S)-3-[(3-tert-butylbenzyl)amino]-5-{[3-(2,2-difluoroethyl)-1H-indol-5-yl]methyl}tetrahydro-2H-thiopyran-4-ol 1,1-dioxide, Beta-secretase 1 | | Authors: | Rondeau, J.M, Bourgier, E. | | Deposit date: | 2012-01-10 | | Release date: | 2012-11-21 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Discovery of cyclic sulfone hydroxyethylamines as potent and selective beta-site APP-cleaving enzyme 1 (BACE1) inhibitors: structure based design and in vivo reduction of amyloid beta-peptides
J.Med.Chem., 55, 2012
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6UPF
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6UP8
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6V2E
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6VCJ
 | | Crystal structure of hsDHFR in complex with NADP+, DAP, and R-naproxen | | Descriptor: | (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid, Dihydrofolate reductase, FOLIC ACID, ... | | Authors: | Pedersen, L.C, London, R.E, Gabel, S.A, Krahn, J.M, DeRose, E.F. | | Deposit date: | 2019-12-21 | | Release date: | 2020-10-28 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | The Structural Basis for Nonsteroidal Anti-Inflammatory Drug Inhibition of Human Dihydrofolate Reductase.
J.Med.Chem., 63, 2020
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6VE6
 | | A structural characterization of poly(aspartic acid) hydrolase-1 from Sphingomonas sp. KT-1. | | Descriptor: | Poly(Aspartic acid) hydrolase-1 | | Authors: | Bolay, A.L, Salvo, H, Brambley, C.A, Yared, T.J, Miller, J.M, Wallen, J.R, Weiland, M.H. | | Deposit date: | 2019-12-28 | | Release date: | 2020-12-09 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.446 Å) | | Cite: | Structural Characterization of Sphingomonas sp. KT-1 PahZ1-Catalyzed Biodegradation of Thermally Synthesized Poly(aspartic acid)
Acs Sustain Chem Eng, 2020
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6UP1
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6UP5
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1JFW
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6V3W
 | | Human Poly(ADP-Ribose) Polymerase 12, Catalytic fragment with four point mutations in complex with RBN-2397 | | Descriptor: | 5-{[(2S)-1-(3-oxo-3-{4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl}propoxy)propan-2-yl]amino}-4-(trifluoromethyl)pyridazin-3(2H)-one, CHLORIDE ION, Protein mono-ADP-ribosyltransferase PARP12 | | Authors: | Swinger, K.K, Gozgit, J.M, Vasbinder, M.M, Wigle, T.J, Kuntz, K.W. | | Deposit date: | 2019-11-26 | | Release date: | 2020-12-16 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | PARP7 negatively regulates the type I interferon response in cancer cells and its inhibition triggers antitumor immunity.
Cancer Cell, 39, 2021
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6VEB
 | | Precorrin-2-bound S128A S. typhimurium siroheme synthase | | Descriptor: | 3,3',3'',3'''-[(7S,8S,12S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-7,8,12,13,20,24-hexahydroporphyrin-2,7,1 2,18-tetrayl]tetrapropanoic acid, CHLORIDE ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... | | Authors: | Pennington, J.M, Stroupe, M.E. | | Deposit date: | 2019-12-31 | | Release date: | 2020-03-04 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Siroheme synthase orients substrates for dehydrogenase and chelatase activities in a common active site.
Nat Commun, 11, 2020
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6VJK
 | | Streptavidin mutant M88 (N49C/A86C) | | Descriptor: | BIOTIN, Streptavidin | | Authors: | Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S. | | Deposit date: | 2020-01-16 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
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6VKQ
 | | Crystal Structure of human PARP-1 CAT domain bound to 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: | Steffen, J.D, Pascal, J.M. | | Deposit date: | 2020-01-21 | | Release date: | 2020-06-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Structural basis for allosteric PARP-1 retention on DNA breaks.
Science, 368, 2020
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1HIX
 | | CRYSTALLOGRAPHIC ANALYSES OF FAMILY 11 ENDO-BETA-1,4-XYLANASE XYL1 FROM STREPTOMYCES SP. S38 | | Descriptor: | ENDO-1,4-BETA-XYLANASE | | Authors: | Wouters, J, Georis, J, Dusart, J, Frere, J.M, Depiereux, E, Charlier, P. | | Deposit date: | 2001-01-05 | | Release date: | 2001-11-30 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystallographic Analysis of Family 11 Endo-[Beta]-1,4-Xylanase Xyl1 from Streptomyces Sp. S38
Acta Crystallogr.,Sect.D, 57, 2001
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6VKK
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