3EOA
 
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3EO9
 | | Crystal structure the Fab fragment of Efalizumab | | Descriptor: | Efalizumab Fab fragment, heavy chain, light chain | | Authors: | Li, S, Ding, J. | | Deposit date: | 2008-09-26 | | Release date: | 2009-04-14 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Efalizumab binding to the LFA-1 alphaL I domain blocks ICAM-1 binding via steric hindrance.
Proc.Natl.Acad.Sci.USA, 106, 2009
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7XJF
 | | Crystal structure of 6MW3211 Fab in complex with CD47 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Wang, J, Wang, R, Jiao, S, Wang, S, Zhang, J, Zhang, M, Wang, M. | | Deposit date: | 2022-04-16 | | Release date: | 2023-05-31 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Blockade of dual immune checkpoint inhibitory signals with a CD47/PD-L1 bispecific antibody for cancer treatment.
Theranostics, 13, 2023
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2ZND
 | | Crystal structure of Ca2+-free form of des3-20ALG-2 | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, PHOSPHATE ION, Programmed cell death protein 6, ... | | Authors: | Suzuki, H, Kawasaki, M, Inuzuka, T, Kakiuchi, T, Shibata, H, Wakatsuki, S, Maki, M. | | Deposit date: | 2008-04-22 | | Release date: | 2008-09-09 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural Basis for Ca(2+)-Dependent Formation of ALG-2/Alix Peptide Complex: Ca(2+)/EF3-Driven Arginine Switch Mechanism
Structure, 16, 2008
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6A59
 | | Structure of histone demethylase REF6 at 1.8A | | Descriptor: | Lysine-specific demethylase REF6, ZINC ION | | Authors: | Tian, Z, Chen, Z. | | Deposit date: | 2018-06-22 | | Release date: | 2019-06-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Crystal structures of REF6 and its complex with DNA reveal diverse recognition mechanisms.
Cell Discov, 6, 2020
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8XAM
 | | Co-crystal structure of compound 7 in complex with MAT2A | | Descriptor: | 2-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenoxy]-~{N}-[3-[7-chloranyl-4-(dimethylamino)-2-oxidanylidene-quinazolin-1-yl]phenyl]ethanamide, S-ADENOSYLMETHIONINE, S-adenosylmethionine synthase isoform type-2 | | Authors: | Gao, F, Ding, X. | | Deposit date: | 2023-12-04 | | Release date: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Discovery of novel MAT2A inhibitors by an allosteric site-compatible fragment growing approach.
Bioorg.Med.Chem., 100, 2024
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6ZH0
 | | Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-N-(pyrimidin-2-yl)acetamide | | Descriptor: | 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, N-(3-chlorophenyl)-2,2,2-trifluoroacetamide, ... | | Authors: | Mackinnon, S.R, Bezerra, G.A, Zhang, M, Foster, W, Krojer, T, Brandao-Neto, J, Douangamath, A, Arrowsmith, C, Edwards, A, Bountra, C, Brennan, P, Lai, K, Yue, W.W. | | Deposit date: | 2020-06-20 | | Release date: | 2022-06-01 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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4IXH
 | | Crystal Structure of the Catalytic Domain of the Inosine Monophosphate Dehydrogenase from Cryptosporidium parvum | | Descriptor: | (2S)-2-(naphthalen-1-yloxy)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]propanamide, 1,2-ETHANEDIOL, INOSINIC ACID, ... | | Authors: | Kim, Y, Makowska-Grzyska, M, Gu, M, Kavitha, M, Hedstrom, L, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2013-01-25 | | Release date: | 2013-04-03 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.105 Å) | | Cite: | Optimization of Benzoxazole-Based Inhibitors of Cryptosporidium parvum Inosine 5'-Monophosphate Dehydrogenase.
J.Med.Chem., 56, 2013
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8GZ9
 | | Cryo-EM structure of Abeta2 fibril polymorph2 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.62 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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8GZ8
 | | Cryo-EM structure of Abeta2 fibril polymorph1 | | Descriptor: | peptide self-assembled antimicrobial fibrils | | Authors: | Xia, W.C, Zhang, M.M, Liu, C. | | Deposit date: | 2022-09-26 | | Release date: | 2023-09-20 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | Engineering of antimicrobial peptide fibrils with feedback degradation of bacterial-secreted enzymes.
Chem Sci, 14, 2023
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4ZNN
 | | MicroED structure of the segment, GVVHGVTTVA, from the A53T familial mutant of Parkinson's disease protein, alpha-synuclein residues 47-56 | | Descriptor: | Alpha-synuclein | | Authors: | Rodriguez, J.A, Ivanova, M, Sawaya, M.R, Cascio, D, Reyes, F, Shi, D, Johnson, L, Guenther, E, Sangwan, S, Hattne, J, Nannenga, B, Brewster, A.S, Messerschmidt, M, Boutet, S, Sauter, N.K, Gonen, T, Eisenberg, D.S. | | Deposit date: | 2015-05-05 | | Release date: | 2015-09-09 | | Last modified: | 2024-03-06 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.41 Å) | | Cite: | Structure of the toxic core of alpha-synuclein from invisible crystals.
Nature, 525, 2015
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5GT1
 | | crystal structure of cbpa from L. salivarius REN | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Choline binding protein A, ... | | Authors: | Jiang, L, Ren, F. | | Deposit date: | 2016-08-18 | | Release date: | 2017-07-19 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Adhesion of Lactobacillus salivarius REN to a Human Intestinal Epithelial Cell Line Requires S-layer Proteins
Sci Rep, 7, 2017
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6Q3X
 | | Structure of human galactokinase in complex with galactose and 2'-(benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'H-spiro[cyclohexane-1,4'-quinazolin]-5'(6'H)-one | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one, Galactokinase, ... | | Authors: | Bezerra, G.A, Mackinnon, S, Zhang, M, Foster, W, Bailey, H, Arrowsmith, C, Edwards, A, Bountra, C, Lai, K, Yue, W.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-12-04 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Fragment Screening Reveals Starting Points for Rational Design of Galactokinase 1 Inhibitors to Treat Classic Galactosemia.
Acs Chem.Biol., 16, 2021
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5YEG
 | | Crystal structure of CTCF ZFs4-8-Hs5-1a complex | | Descriptor: | DNA (5'-D(*AP*CP*TP*TP*TP*AP*AP*CP*CP*AP*GP*CP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*GP*CP*TP*GP*GP*TP*TP*AP*AP*AP*G)-3'), Transcriptional repressor CTCF, ... | | Authors: | Yin, M, Wang, J, Wang, M, Li, X. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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5YEL
 | | Crystal structure of CTCF ZFs6-11-gb7CSE | | Descriptor: | DNA (26-MER), Transcriptional repressor CTCF, ZINC ION | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-18 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.96 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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5YEH
 | | Crystal structure of CTCF ZFs4-8-eCBS | | Descriptor: | DNA (5'-D(*AP*CP*GP*GP*TP*TP*TP*CP*CP*GP*CP*TP*AP*GP*AP*GP*GP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*CP*CP*TP*CP*TP*AP*GP*CP*GP*GP*AP*AP*AP*CP*CP*G)-3'), Transcriptional repressor CTCF, ... | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-29 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.328 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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5YEF
 | | Crystal structure of CTCF ZFs2-8-Hs5-1aE | | Descriptor: | DNA (27-MER), Transcriptional repressor CTCF, ZINC ION | | Authors: | Yin, M, Wang, J, Wang, M, Li, X, Wang, Y. | | Deposit date: | 2017-09-17 | | Release date: | 2017-11-29 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.807 Å) | | Cite: | Molecular mechanism of directional CTCF recognition of a diverse range of genomic sites
Cell Res., 27, 2017
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6V9T
 | | Tudor domain of TDRD3 in complex with a small molecule | | Descriptor: | 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine, Tudor domain-containing protein 3, UNKNOWN ATOM OR ION | | Authors: | Li, W, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2019-12-16 | | Release date: | 2019-12-25 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.154 Å) | | Cite: | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II.
Nat Commun, 13, 2022
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8K4L
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8K3D
 | | Crystal structure of NRF1 DBD bound to DNA | | Descriptor: | DNA (5'-D(*GP*GP*TP*GP*CP*GP*CP*AP*TP*GP*CP*GP*CP*AP*CP*C)-3'), Nuclear respiratory factor 1 | | Authors: | Li, W.F, Liu, K, Min, J.R. | | Deposit date: | 2023-07-15 | | Release date: | 2023-12-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanism of specific DNA sequence recognition by NRF1.
Nucleic Acids Res., 52, 2024
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2X03
 | | The X-ray structure of the Streptomyces coelicolor A3 Chondroitin AC Lyase Y253A mutant | | Descriptor: | MAGNESIUM ION, PUTATIVE SECRETED LYASE | | Authors: | Elmabrouk, Z.H, Taylor, E.J, Vincent, F, Smith, N.L, Turkenburg, J.P, Davies, G.J, Black, G.W. | | Deposit date: | 2009-12-04 | | Release date: | 2010-08-18 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Crystal Structures of a Family 8 Polysaccharide Lyase Reveal Open and Highly Occluded Substrate-Binding Cleft Conformations.
Proteins, 79, 2011
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5X9H
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5X9G
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6LFZ
 | | Crystal structure of SbCGTb in complex with UDPG | | Descriptor: | SbCGTb, URIDINE-5'-DIPHOSPHATE-GLUCOSE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-12-04 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.866 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6LF6
 | | Crystal structure of ZmCGTa in complex with UDP | | Descriptor: | UDP-glycosyltransferase 708A6, URIDINE-5'-DIPHOSPHATE | | Authors: | Gao, H.M, Yun, C.H. | | Deposit date: | 2019-11-29 | | Release date: | 2020-11-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.044 Å) | | Cite: | Dissection of the general two-step di- C -glycosylation pathway for the biosynthesis of (iso)schaftosides in higher plants.
Proc.Natl.Acad.Sci.USA, 117, 2020
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