8C7W
| Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2304 | Descriptor: | 1,2-ETHANEDIOL, 6-methyl-9-piperazin-1-yl-4-(3,4,5-trimethoxyphenyl)-5,7-dihydropyrido[4,3-d][2]benzazepine, Activin receptor type I, ... | Authors: | Cros, J, Williams, E.P, Sweeney, M.N, Smil, D, Gonzalez-Alvarez, H, Al-awar, R, Bullock, A.N. | Deposit date: | 2023-01-17 | Release date: | 2023-02-08 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Discovery of Conformationally Constrained ALK2 Inhibitors. J.Med.Chem., 67, 2024
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8C3F
| Double mutant I(L177)H/F(M197)H structure of Photosynthetic Reaction Center From Cereibacter sphaeroides strain RV | Descriptor: | 1,2-ETHANEDIOL, 1,4-DIETHYLENE DIOXIDE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G. | Deposit date: | 2022-12-23 | Release date: | 2023-03-08 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Properties and Crystal Structure of the Cereibacter sphaeroides Photosynthetic Reaction Center with Double Amino Acid Substitution I(L177)H + F(M197)H. Membranes (Basel), 13, 2023
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7S7S
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8OR6
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2NYF
| Crystal structure of phenylalanine ammonia-lyase from Nostoc punctiforme | Descriptor: | Nostoc punctiforme phenylalanine ammonia lyase | Authors: | Louie, G.V, Moffitt, M.C, Bowman, M.E, Pence, J, Noel, J.P, Moore, B.S. | Deposit date: | 2006-11-20 | Release date: | 2007-02-06 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Discovery of Two Cyanobacterial Phenylalanine Ammonia Lyases: Kinetic and Structural Characterization. Biochemistry, 46, 2007
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8CD8
| Ulilysin - C269A with AEBSF complex | Descriptor: | 4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE, CALCIUM ION, GLY-SER-SER, ... | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X. | Deposit date: | 2023-01-30 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans, 52, 2023
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8CDB
| Proulilysin E229A structure | Descriptor: | CALCIUM ION, Ulilysin, ZINC ION | Authors: | Rodriguez-Banqueri, A, Eckhard, U, Gomis-Ruth, F.X. | Deposit date: | 2023-01-30 | Release date: | 2023-03-22 | Last modified: | 2023-03-29 | Method: | X-RAY DIFFRACTION (4.5 Å) | Cite: | Structural insights into latency of the metallopeptidase ulilysin (lysargiNase) and its unexpected inhibition by a sulfonyl-fluoride inhibitor of serine peptidases. Dalton Trans, 52, 2023
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8ORP
| Crystal structure of Drosophila melanogaster alpha-amylase in complex with the inhibitor acarbose | Descriptor: | 1,2-ETHANEDIOL, 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ... | Authors: | Aghajari, N, Haser, R. | Deposit date: | 2023-04-16 | Release date: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Functional Characterization of Drosophila melanogaster alpha-Amylase. Molecules, 28, 2023
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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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2VET
| CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH DUMP | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, THYMIDYLATE SYNTHASE | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | Deposit date: | 2007-10-26 | Release date: | 2007-12-04 | Last modified: | 2024-05-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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6RZX
| Carbonic Anhydrase CAIX mimic in complex with inhibitor FBSA | Descriptor: | 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide, Carbonic anhydrase 2, ZINC ION | Authors: | Kugler, M, Brynda, J, Rezacova, P. | Deposit date: | 2019-06-13 | Release date: | 2020-06-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification of Novel Carbonic Anhydrase IX Inhibitors Using High-Throughput Screening of Pooled Compound Libraries by DNA-Linked Inhibitor Antibody Assay (DIANA). SLAS Discov, 25, 2020
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8DF5
| SARS-CoV-2 Beta RBD in complex with human ACE2 and S304 Fab and S309 Fab | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | McCallum, M, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Snell, G, Veesler, D. | Deposit date: | 2022-06-21 | Release date: | 2022-08-03 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Shifting mutational constraints in the SARS-CoV-2 receptor-binding domain during viral evolution. Science, 377, 2022
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7SBH
| Crystal structure of the iron superoxide dismutase from Acinetobacter sp. Ver3 | Descriptor: | FE (III) ION, FLAVIN MONONUCLEOTIDE, Superoxide dismutase | Authors: | Steimbruch, B.A, Albanesi, D, Repizo, G.D, Lisa, M.N. | Deposit date: | 2021-09-24 | Release date: | 2022-03-16 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.34 Å) | Cite: | The distinctive roles played by the superoxide dismutases of the extremophile Acinetobacter sp. Ver3. Sci Rep, 12, 2022
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8CC1
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8CC0
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8OU1
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2VF0
| CRYSTAL STRUCTURE OF THE THYMIDYLATE SYNTHASE K48Q COMPLEXED WITH 5NO2DUMP AND BW1843U89 | Descriptor: | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE, S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID, SULFATE ION, ... | Authors: | Sotelo-Mundo, R.R, Arreola, R, Maley, F, Montfort, W.R. | Deposit date: | 2007-10-27 | Release date: | 2007-12-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Role of an Invariant Lysine Residue in Folate Binding on Escherichia Coli Thymidylate Synthase: Calorimetric and Crystallographic Analysis of the K48Q Mutant. Int.J.Biochem.Cell Biol., 40, 2008
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7VDT
| The motor-nucleosome module of human chromatin remodeling PBAF-nucleosome complex | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, BERYLLIUM TRIFLUORIDE ION, DNA (207-MER), ... | Authors: | Chen, Z.C, Chen, K.J, Yuan, J.J. | Deposit date: | 2021-09-07 | Release date: | 2022-05-18 | Method: | ELECTRON MICROSCOPY (2.8 Å) | Cite: | Structure of human chromatin-remodelling PBAF complex bound to a nucleosome. Nature, 605, 2022
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7LYC
| Cryo-EM structure of the human nucleosome core particle ubiquitylated at histone H2A Lys13 and Lys15 in complex with BARD1 (residues 415-777) | Descriptor: | BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | Deposit date: | 2021-03-06 | Release date: | 2021-06-16 | Last modified: | 2024-10-09 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation. Nature, 596, 2021
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5O8V
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7LYA
| Cryo-EM structure of the human nucleosome core particle with linked histone proteins H2A and H2B | Descriptor: | DNA (146-MER), DNA (147-MER), Histone H2A type 1-B/E, ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | Deposit date: | 2021-03-06 | Release date: | 2021-07-28 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (2.91 Å) | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation. Nature, 596, 2021
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7LYB
| Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c | Descriptor: | BRCA1-associated RING domain protein 1, DNA (146-MER), DNA (147-MER), ... | Authors: | Hu, Q, Botuyan, M.V, Zhao, D, Cui, D, Mer, E, Mer, G. | Deposit date: | 2021-03-06 | Release date: | 2021-07-28 | Last modified: | 2021-09-01 | Method: | ELECTRON MICROSCOPY (3.28 Å) | Cite: | Mechanisms of BRCA1-BARD1 nucleosome recognition and ubiquitylation. Nature, 596, 2021
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1RE5
| Crystal structure of 3-carboxy-cis,cis-muconate lactonizing enzyme from Pseudomonas putida | Descriptor: | 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3-carboxy-cis,cis-muconate cycloisomerase, CITRIC ACID | Authors: | Yang, J, Wang, Y, Woolridge, E.M, Petsko, G.A, Kozarich, J.W, Ringe, D. | Deposit date: | 2003-11-06 | Release date: | 2004-06-08 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal Structure of 3-Carboxy-cis,cis-muconate Lactonizing Enzyme from Pseudomonas putida, a Fumarase Class II Type Cycloisomerase: Enzyme Evolution in Parallel Pathways. Biochemistry, 43, 2004
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2FAI
| Human Estrogen Receptor Alpha Ligand-Binding Domain In Complex With OBCP-2M and A Glucocorticoid Receptor Interacting Protein 1 NR Box II Peptide | Descriptor: | 4-[(1S,2S,5S,9R)-5-(HYDROXYMETHYL)-8,9-DIMETHYL-3-OXABICYCLO[3.3.1]NON-7-EN-2-YL]PHENOL, Estrogen receptor, Nuclear receptor coactivator 2 | Authors: | Rajan, S.S, Hsieh, R.W, Sharma, S.K, Greene, G.L. | Deposit date: | 2005-12-07 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of ligands with bicyclic scaffolds provides insights into mechanisms of estrogen receptor subtype selectivity. J.Biol.Chem., 281, 2006
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