8TTO
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5TKQ
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![BU of 5tkq by Molmil](/molmil-images/mine/5tkq) | Crystal structure of human 3HAO with zinc bound in the active site | Descriptor: | 3-hydroxyanthranilate 3,4-dioxygenase, SULFATE ION, ZINC ION | Authors: | Pidugu, L.S, Toth, E.A. | Deposit date: | 2016-10-07 | Release date: | 2017-04-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structures of human 3-hydroxyanthranilate 3,4-dioxygenase with native and non-native metals bound in the active site. Acta Crystallogr D Struct Biol, 73, 2017
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7RFB
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![BU of 7rfb by Molmil](/molmil-images/mine/7rfb) | Crystal structure of broadly neutralizing antibody mAb1198 in complex with Hepatitis C virus envelope glycoprotein E2 ectodomain | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Flyak, A.I, Bjorkman, P.J. | Deposit date: | 2021-07-14 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Analysis of antibodies from HCV elite neutralizers identifies genetic determinants of broad neutralization. Immunity, 55, 2022
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6Z1H
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![BU of 6z1h by Molmil](/molmil-images/mine/6z1h) | Ancestral glycosidase (family 1) | Descriptor: | ANCESTRAL RECONSTRUCTED GLYCOSIDASE, GLYCEROL, ISOPROPYL ALCOHOL, ... | Authors: | Gavira, J.A, Risso, V.A, Sanchez-Ruiz, J.M, Gamiz-Arco, G, Gutierrez-Rus, L, Ibarra-Molero, B, Hoshino, Y, Petrovic, D, Romero-Rivera, A, Seelig, B, Kamerlin, S.C.L, Gaucher, E.A. | Deposit date: | 2020-05-13 | Release date: | 2020-07-22 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Heme-binding enables allosteric modulation in an ancient TIM-barrel glycosidase. Nat Commun, 12, 2021
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6ZLN
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![BU of 6zln by Molmil](/molmil-images/mine/6zln) | CLK1 bound with GW807982X (Cpd 8) | Descriptor: | 1,2-ETHANEDIOL, 4-(6-ethoxypyrazolo[1,5-b]pyridazin-3-yl)-~{N}-[3-methoxy-5-(trifluoromethyl)phenyl]pyrimidin-2-amine, Dual specificity protein kinase CLK1 | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-06-30 | Release date: | 2020-08-26 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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6GH8
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![BU of 6gh8 by Molmil](/molmil-images/mine/6gh8) | Crystal structure of GP1 domain of Lujo virus in complex with the first CUB domain of neuropilin-2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glycoprotein, ... | Authors: | Cohen-Dvashi, H, Kilimnik, I, Diskin, R. | Deposit date: | 2018-05-06 | Release date: | 2018-07-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.44 Å) | Cite: | Structural basis for receptor recognition by Lujo virus. Nat Microbiol, 3, 2018
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7RN7
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![BU of 7rn7 by Molmil](/molmil-images/mine/7rn7) | Crystal structure of caspase-3 with inhibitor Ac-VD(Aly)VD-CHO | Descriptor: | Ac-VD(Aly)VD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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8T9U
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![BU of 8t9u by Molmil](/molmil-images/mine/8t9u) | Human PU.1 ETS-domain (165-270) in complex with d(AATAAGCGIAAGTGGG) | Descriptor: | DNA (5'-D(*AP*AP*TP*AP*AP*GP*CP*GP*IP*AP*AP*GP*TP*GP*GP*G)-3'), DNA (5'-D(*TP*CP*CP*CP*AP*CP*TP*TP*CP*CP*GP*CP*TP*TP*AP*T)-3'), SODIUM ION, ... | Authors: | Terrell, J.R, Poon, G.M.K. | Deposit date: | 2023-06-26 | Release date: | 2023-11-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Dissection of integrated readout reveals the structural thermodynamics of DNA selection by transcription factors. Structure, 32, 2024
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6KAJ
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![BU of 6kaj by Molmil](/molmil-images/mine/6kaj) | Crystal structure of FKRP in complex with Ba ion | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BARIUM ION, CYTIDINE-5'-DIPHOSPHATE, ... | Authors: | Kuwabara, N. | Deposit date: | 2019-06-23 | Release date: | 2020-01-29 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2249 Å) | Cite: | Crystal structures of fukutin-related protein (FKRP), a ribitol-phosphate transferase related to muscular dystrophy. Nat Commun, 11, 2020
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5TFZ
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7RNB
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![BU of 7rnb by Molmil](/molmil-images/mine/7rnb) | Crystal structure of caspase-3 with inhibitor Ac-VDRVD-CHO | Descriptor: | Ac-VDRVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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6K20
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![BU of 6k20 by Molmil](/molmil-images/mine/6k20) | Structure of Apo YdiU | Descriptor: | MAGNESIUM ION, Protein adenylyltransferase SelO | Authors: | Li, B, Yang, Y, Ma, Y. | Deposit date: | 2019-05-13 | Release date: | 2020-05-13 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Structure of Apo-YdiU To Be Published
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8T58
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![BU of 8t58 by Molmil](/molmil-images/mine/8t58) | |
7RIW
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![BU of 7riw by Molmil](/molmil-images/mine/7riw) | RNA polymerase II elongation complex scaffold 2, without polyamide | Descriptor: | DNA-directed RNA polymerase II subunit RPB1, DNA-directed RNA polymerase II subunit RPB11, DNA-directed RNA polymerase II subunit RPB2, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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7JZB
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6KB7
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![BU of 6kb7 by Molmil](/molmil-images/mine/6kb7) | X-ray structure of human PPARalpha ligand binding domain-Wy14643 co-crystals obtained by delipidation and cross-seeding | Descriptor: | 2-({4-CHLORO-6-[(2,3-DIMETHYLPHENYL)AMINO]PYRIMIDIN-2-YL}SULFANYL)ACETIC ACID, Peroxisome proliferator-activated receptor alpha | Authors: | Kamata, S, Saito, K, Honda, A, Ishikawa, R, Oyama, T, Ishii, I. | Deposit date: | 2019-06-24 | Release date: | 2020-11-11 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | PPAR alpha Ligand-Binding Domain Structures with Endogenous Fatty Acids and Fibrates. Iscience, 23, 2020
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5TGH
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7RN9
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![BU of 7rn9 by Molmil](/molmil-images/mine/7rn9) | Crystal structure of caspase-3 with inhibitor Ac-VDFVD-CHO | Descriptor: | Ac-VDFVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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7JZC
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6OUJ
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![BU of 6ouj by Molmil](/molmil-images/mine/6ouj) | Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A | Descriptor: | 3-[(1S)-1-(4-nitrophenyl)ethyl]-2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ... | Authors: | Kota, A, McKenna, R. | Deposit date: | 2019-05-04 | Release date: | 2020-05-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.466 Å) | Cite: | Carbonic Anhydrase II complexed with benzene sulfonamide MB11-689A To Be Published
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7RNF
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![BU of 7rnf by Molmil](/molmil-images/mine/7rnf) | Crystal structure of caspase-3 with inhibitor Ac-VDKVD-CHO | Descriptor: | Ac-VDKVD-CHO, Caspase-3 subunit p12, Caspase-3 subunit p17 | Authors: | McCue, W, Finzel, B.C. | Deposit date: | 2021-07-29 | Release date: | 2022-01-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.11 Å) | Cite: | Structure-Based Design and Biological Evaluation of Novel Caspase-2 Inhibitors Based on the Peptide AcVDVAD-CHO and the Caspase-2-Mediated Tau Cleavage Sequence YKPVD314. Acs Pharmacol Transl Sci, 5, 2022
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6Z2V
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![BU of 6z2v by Molmil](/molmil-images/mine/6z2v) | CLK3 A319V mutant bound with beta-carboline KH-CARB13 (Cpd 3) | Descriptor: | (4~{S})-7,8-bis(chloranyl)-9-methyl-1-oxidanylidene-spiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile, 1,2-ETHANEDIOL, Dual specificity protein kinase CLK3, ... | Authors: | Schroeder, M, Chaikuad, A, Bracher, F, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-05-18 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | DFG-1 Residue Controls Inhibitor Binding Mode and Affinity, Providing a Basis for Rational Design of Kinase Inhibitor Selectivity. J.Med.Chem., 63, 2020
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7JZD
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![BU of 7jzd by Molmil](/molmil-images/mine/7jzd) | |
8B5P
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7RIL
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![BU of 7ril by Molmil](/molmil-images/mine/7ril) | Crystal structure of hairpin polyamide Py-Im 1 bound to 5' CCTGACCAGG | Descriptor: | 3-({3-[(3-{[4-({4-[(4-{[4-({(2R)-2-amino-4-[(1-methyl-4-{[1-methyl-4-({1-methyl-4-[(1-methyl-1H-imidazole-2-carbonyl)amino]-1H-imidazole-2-carbonyl}amino)-1H-pyrrole-2-carbonyl]amino}-1H-pyrrole-2-carbonyl)amino]butanoyl}amino)-1-methyl-1H-imidazole-2-carbonyl]amino}-1-methyl-1H-pyrrole-2-carbonyl)amino]-1-methyl-1H-pyrrole-2-carbonyl}amino)-1-methyl-1H-pyrrole-2-carbonyl]amino}propyl)(methyl)amino]propyl}carbamoyl)benzoic acid, ACETATE ION, non-template DNA, ... | Authors: | Oh, J, Dervan, P.B, Wang, D. | Deposit date: | 2021-07-20 | Release date: | 2022-01-12 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | RNA polymerase II trapped on a molecular treadmill: Structural basis of persistent transcriptional arrest by a minor groove DNA binder. Proc.Natl.Acad.Sci.USA, 119, 2022
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