5R0A
 
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry C02, DMSO-free | | Descriptor: | 2,4,5-tris(fluoranyl)-3-methoxy-benzoic acid, 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 (1.54 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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8VDU
 | | Crystal structure of hybrid insulin peptide (InsC8-15-IAPP74-80) bound to HLA-DQ8 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Hybrid insulin peptide (HIP; InsC8-15-IAPP74-80), ... | | Authors: | Tran, T.M, Lim, J.J, Loh, T.Y, Mannering, I.S, Rossjohn, J, Reid, H.H. | | Deposit date: | 2023-12-17 | | Release date: | 2024-08-07 | | Last modified: | 2024-09-04 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | A structural basis of T cell cross-reactivity to native and spliced self-antigens presented by HLA-DQ8.
J.Biol.Chem., 300, 2024
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5QZG
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 31 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0P
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 03, 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 (1.73 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5QZY
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 49 | | Descriptor: | A1 cistron-splicing factor AAR2, Pre-mRNA-splicing factor 8 | | Authors: | Weiss, M.S, Wollenhaupt, J, Metz, A, Barthel, T, Lima, G.M.A, Heine, A, Mueller, U, Klebe, G. | | Deposit date: | 2020-02-12 | | Release date: | 2020-06-10 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R0F
 | | PanDDA analysis group deposition -- Aar2/RNaseH in complex with fragment F2X-Entry D06, DMSO-free | | Descriptor: | (3-methoxyphenyl)(pyrrolidin-1-yl)methanone, 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 (1.97 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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6GVQ
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4GJ9
 | | Crystal structure of renin in complex with GP055321 (compound 4) | | Descriptor: | (2R)-1-(3,8-dihydrodibenzo[b,f]pyrrolo[3,4-d]azepin-2(1H)-yl)propan-2-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Renin | | Authors: | Ostermann, N, Zink, F, Kroemer, M. | | Deposit date: | 2012-08-09 | | Release date: | 2013-02-13 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | A novel class of oral direct Renin inhibitors: highly potent 3,5-disubstituted piperidines bearing a tricyclic p3-p1 pharmacophore.
J.Med.Chem., 56, 2013
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8E1G
 | | SARS-CoV-2 RBD in complex with Omicron-neutralizing antibody 2A10 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2A10 Fab, heavy chain, ... | | Authors: | Wasserman, H, Hastie, K.M, Buck, T.K, Saphire, E.O. | | Deposit date: | 2022-08-10 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.57 Å) | | Cite: | Potent Omicron-neutralizing antibodies isolated from a patient vaccinated 6 months before Omicron emergence.
Cell Rep, 42, 2023
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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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5R0V
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 09, 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 (1.81 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1A
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 25, 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 (1.73 Å) | | Cite: | F2X-Universal and F2X-Entry: Structurally Diverse Compound Libraries for Crystallographic Fragment Screening.
Structure, 28, 2020
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5R1Q
 | | PanDDA analysis group deposition -- Auto-refined data of Aar2/RNaseH for ground state model 41, 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: | 2021-03-10 | | 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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8F23
 | | The crystal structure of a rationally designed zinc sensor based on maltose binding protein - Apo conformation | | Descriptor: | Zinc Sensor protein | | Authors: | Zhao, Z, Zhou, M, Zemerov, S.d, Marmorstein, R, Dmochowski, I.J. | | Deposit date: | 2022-11-06 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
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7T2S
 | | Structure of E. coli upec-117 Cap18 3'-5' exonuclease | | Descriptor: | 3'-5' exonuclease, ACETATE ION | | Authors: | Liang, Q, Richey, S.T, Ye, Q, Lau, R.K, Corbett, K.D. | | Deposit date: | 2021-12-06 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structure and activity of a bacterial defense-associated 3'-5' exonuclease.
Protein Sci., 31, 2022
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7SXQ
 | | Plasmodium falciparum apicoplast DNA polymerase (exo-minus) without affinity tag | | Descriptor: | 1,2-ETHANEDIOL, Apicoplast DNA polymerase, CHLORIDE ION, ... | | Authors: | Nieto, N, Chheda, P, Kerns, R, Nelson, S, Honzatko, R. | | Deposit date: | 2021-11-24 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Promising antimalarials targeting apicoplast DNA polymerase from Plasmodium falciparum.
Eur.J.Med.Chem., 243, 2022
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8ETB
 | | the crystal structure of a rationally designed zinc sensor based on maltose binding protein - Zn binding conformation | | Descriptor: | ACETATE ION, ZINC ION, Zinc Sensor protein | | Authors: | Zhao, Z, Zhou, M, Zemerov, S.D, Marmorstein, R, Dmochowski, I.J. | | Deposit date: | 2022-10-16 | | Release date: | 2023-03-22 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Rational design of a genetically encoded NMR zinc sensor.
Chem Sci, 14, 2023
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8ET5
 | | Crystal structure of arabidopsis thaliana acetohydroxyacid synthase S653T mutant in complex with amidosulfuron | | Descriptor: | 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[(1~{S})-1-(dioxidanyl)-1-oxidanyl-ethyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Acetolactate synthase, ... | | Authors: | Guddat, L.W, Cheng, Y. | | Deposit date: | 2022-10-16 | | Release date: | 2023-03-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.94 Å) | | Cite: | Crystal Structure of the Commercial Herbicide, Amidosulfuron, in Complex with Arabidopsis thaliana Acetohydroxyacid Synthase.
J.Agric.Food Chem., 71, 2023
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8VHH
 | | Engineered holo tryptophan synthase (Tm9D8*) derived from T. maritima TrpB | | Descriptor: | PHOSPHATE ION, POTASSIUM ION, PYRIDOXAL-5'-PHOSPHATE, ... | | Authors: | Porter, N.J, Johnston, K.E, Almhjell, P.J, Arnold, F.H. | | Deposit date: | 2024-01-02 | | Release date: | 2024-08-14 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | A combinatorially complete epistatic fitness landscape in an enzyme active site.
Proc.Natl.Acad.Sci.USA, 121, 2024
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7N5U
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21) | | Descriptor: | DNA Strain II, DNA Strand I, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5W
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5V
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20) | | Descriptor: | DNA Strand I, DNA Strand II, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7S4G
 | | Fab fragment bound to the Cter peptide of Ly6G6D | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, Lymphocyte antigen 6 complex locus protein G6d, ... | | Authors: | Rouge, L, Lupardus, P. | | Deposit date: | 2021-09-08 | | Release date: | 2022-04-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Novel Anti-LY6G6D/CD3 T-Cell-Dependent Bispecific Antibody for the Treatment of Colorectal Cancer.
Mol.Cancer Ther., 21, 2022
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8EDP
 | | Crystal structure of a three-tetrad, parallel, and K+ stabilized homopurine G-quadruplex from human chromosome 7 | | Descriptor: | COBALT HEXAMMINE(III), DNA (5'-D(*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*GP*AP*GP*GP*GP*AP*AP*AP*AP*GP*GP*GP*G)-3'), N-METHYLMESOPORPHYRIN, ... | | Authors: | Ye, M, Yatsunyk, L.A. | | Deposit date: | 2022-09-05 | | Release date: | 2022-12-28 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Homopurine guanine-rich sequences in complex with N-methyl mesoporphyrin IX form parallel G-quadruplex dimers and display a unique symmetry tetrad.
Bioorg.Med.Chem., 77, 2022
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8F3E
 | | Trimer of aminoglycoside efflux pump AcrD | | Descriptor: | Efflux pump membrane transporter | | Authors: | Zhang, Z. | | Deposit date: | 2022-11-10 | | Release date: | 2022-12-28 | | Last modified: | 2024-06-19 | | Method: | ELECTRON MICROSCOPY (3.09 Å) | | Cite: | Cryo-EM Structures of AcrD Illuminate a Mechanism for Capturing Aminoglycosides from Its Central Cavity.
Mbio, 14, 2023
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