5HLV
 
 | | Crystal structure of calcium and zinc-bound human S100A8 in space group P212121 | | Descriptor: | ACETATE ION, CALCIUM ION, CHLORIDE ION, ... | | Authors: | Lin, H, Andersen, G.R, Yatime, L. | | Deposit date: | 2016-01-15 | | Release date: | 2016-06-08 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of human S100A8 in complex with zinc and calcium.
Bmc Struct.Biol., 16, 2016
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7XQG
 | | Hemichannel-focused structure of C-terminal truncated connexin43/Cx43/GJA1 gap junction intercellular channel in POPE nanodiscs (GCN conformation) | | Descriptor: | CHOLESTEROL HEMISUCCINATE, Gap junction alpha-1 protein, PHOSPHATIDYLETHANOLAMINE | | Authors: | Lee, H.J, Cha, H.J, Jeong, H, Lee, S.N, Lee, C.W, Woo, J.S. | | Deposit date: | 2022-05-07 | | Release date: | 2023-01-25 | | Last modified: | 2023-08-02 | | Method: | ELECTRON MICROSCOPY (3.8 Å) | | Cite: | Conformational changes in the human Cx43/GJA1 gap junction channel visualized using cryo-EM.
Nat Commun, 14, 2023
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4ABG
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(4-METHYLPIPERAZIN-1-YL)PHENYL]METHANAMINE, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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6NUX
 | | CD1a-lipid binary complex | | Descriptor: | (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol, 1,2-ETHANEDIOL, Beta-2-microglobulin, ... | | Authors: | Wegrecki, M, Le Nours, J, Rossjohn, J. | | Deposit date: | 2019-02-03 | | Release date: | 2020-01-15 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Human T cell response to CD1a and contact dermatitis allergens in botanical extracts and commercial skin care products.
Sci Immunol, 5, 2020
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6O0Z
 | | Conformational states of Cas9-sgRNA-DNA ternary complex in the presence of magnesium | | Descriptor: | CRISPR-associated endonuclease Cas9/Csn1, non-target strand DNA, single guide RNA, ... | | Authors: | Zhu, X, Clarke, R, Puppala, A.K, Chittori, S, Merk, A, Merrill, B.J, Simonovic, M, Subramaniam, S. | | Deposit date: | 2019-02-17 | | Release date: | 2019-07-10 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Cryo-EM structures reveal coordinated domain motions that govern DNA cleavage by Cas9.
Nat.Struct.Mol.Biol., 26, 2019
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6O1O
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4ABA
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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3PKP
 | | Q83S Variant of S. Enterica RmlA with dATP | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, Glucose-1-phosphate thymidylyltransferase, MAGNESIUM ION | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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4AB8
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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6NWP
 | | Chronic traumatic encephalopathy Type I Tau filament | | Descriptor: | Microtubule-associated protein tau | | Authors: | Falcon, B, Zivanov, J, Zhang, W, Murzin, A.G, Garringer, H.J, Vidal, R, Crowther, R.A, Newell, K.L, Ghetti, B, Goedert, M, Scheres, H.W. | | Deposit date: | 2019-02-07 | | Release date: | 2019-03-27 | | Last modified: | 2024-07-10 | | Method: | ELECTRON MICROSCOPY (2.3 Å) | | Cite: | Novel tau filament fold in chronic traumatic encephalopathy encloses hydrophobic molecules.
Nature, 568, 2019
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5HK2
 | | Human sigma-1 receptor bound to 4-IBP | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, N-(1-benzylpiperidin-4-yl)-4-iodobenzamide, SULFATE ION, ... | | Authors: | Schmidt, H.R, Zheng, S, Gurpinar, E.G, Koehl, A, Manglik, A, Kruse, A.C. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Crystal structure of the human sigma 1 receptor.
Nature, 532, 2016
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3PKQ
 | | Q83D Variant of S. Enterica RmlA with dGTP | | Descriptor: | 2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE, DI(HYDROXYETHYL)ETHER, Glucose-1-phosphate thymidylyltransferase, ... | | Authors: | Chang, A, Moretti, R, Bingman, C.A, Thorson, J.S, Phillips Jr, G.N, Center for Eukaryotic Structural Genomics (CESG) | | Deposit date: | 2010-11-11 | | Release date: | 2011-01-12 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Expanding the Nucleotide and Sugar 1-Phosphate Promiscuity of Nucleotidyltransferase RmlA via Directed Evolution.
J.Biol.Chem., 286, 2011
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5R0U
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 08, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.86 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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7YDQ
 | | Structure of PfNT1(Y190A)-GFP in complex with GSK4 | | Descriptor: | 5-methyl-N-[2-(2-oxidanylideneazepan-1-yl)ethyl]-2-phenyl-1,3-oxazole-4-carboxamide, Nucleoside transporter 1,Green fluorescent protein | | Authors: | Wang, C, Yu, L.Y, Li, J.L, Ren, R.B, Deng, D. | | Deposit date: | 2022-07-04 | | Release date: | 2023-04-26 | | Last modified: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.04 Å) | | Cite: | Structural basis of the substrate recognition and inhibition mechanism of Plasmodium falciparum nucleoside transporter PfENT1.
Nat Commun, 14, 2023
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5R1B
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 26, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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7JJF
 | | Sarcin-ricin loop with modified residue. | | Descriptor: | MAGNESIUM ION, RNA/DNA (27-mer) | | Authors: | Harp, J.M, Pallan, P.S, Egli, M. | | Deposit date: | 2020-07-25 | | Release date: | 2020-12-23 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Incorporating a Thiophosphate Modification into a Common RNA Tetraloop Motif Causes an Unanticipated Stability Boost.
Biochemistry, 59, 2020
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7YIB
 | | Crystal structure of wild-type Cap4 SAVED domain-containing receptor from Enterobacter cloacae | | Descriptor: | CD-NTase-associated protein 4, CHLORIDE ION | | Authors: | Ko, T.-P, Yang, C.-S, Hou, M.-H, Wang, Y.-C, Chen, Y. | | Deposit date: | 2022-07-15 | | Release date: | 2023-05-31 | | Method: | X-RAY DIFFRACTION (2.18 Å) | | Cite: | Specific recognition of cyclic oligonucleotides by Cap4 for phage infection.
Int.J.Biol.Macromol., 237, 2023
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5R13
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 18, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1N
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 38, DMSO-free | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G, Weiss, M.S. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-03 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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4ABD
 | | Fragments bound to bovine trypsin for the SAMPL challenge | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-(1H-pyrrol-1-yl)phenyl]methanamine, CALCIUM ION, ... | | Authors: | Newman, J, Peat, T.S. | | Deposit date: | 2011-12-08 | | Release date: | 2012-02-08 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
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4ABE
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7XV2
 | | TRIM E3 ubiquitin ligase | | Descriptor: | Tripartite motif-containing protein 72, ZINC ION | | Authors: | Park, S.H, Song, H.K. | | Deposit date: | 2022-05-20 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure and activation of the RING E3 ubiquitin ligase TRIM72 on the membrane.
Nat.Struct.Mol.Biol., 30, 2023
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7Y73
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7Y9A
 | | Crystal structure of sDscam Ig1-2 domains, isoform beta2v6 | | Descriptor: | Down Syndrome Cell Adhesion Molecules, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-3)][beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chen, Q, Yu, Y, Cheng, J. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-24 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.51 Å) | | Cite: | Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
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7Y8I
 | | Crystal structure of sDscam FNIII3 domain, isoform alpha7 | | Descriptor: | CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Dscam, ... | | Authors: | Chen, Q, Yu, Y, Cheng, J. | | Deposit date: | 2022-06-24 | | Release date: | 2023-05-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural basis for the self-recognition of sDSCAM in Chelicerata.
Nat Commun, 14, 2023
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