6WTE
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![BU of 6wte by Molmil](/molmil-images/mine/6wte) | Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with cobalamin and [4Fe-4S] cluster bound | Descriptor: | 1,2-ETHANEDIOL, B12-binding domain-containing protein, COBALAMIN, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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6WTF
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![BU of 6wtf by Molmil](/molmil-images/mine/6wtf) | Structure of radical S-adenosylmethionine methyltransferase, TsrM, from Kitasatospora setae with tryptophan substrate and SAM analog (aza-SAM) bound | Descriptor: | COBALAMIN, IRON/SULFUR CLUSTER, S-5'-AZAMETHIONINE-5'-DEOXYADENOSINE, ... | Authors: | Knox, H.L, Chen, P.Y.-T, Drennan, C.L, Booker, S.J. | Deposit date: | 2020-05-02 | Release date: | 2020-12-23 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.19 Å) | Cite: | Structural basis for non-radical catalysis by TsrM, a radical SAM methylase. Nat.Chem.Biol., 17, 2021
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6WG9
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![BU of 6wg9 by Molmil](/molmil-images/mine/6wg9) | Crystal structure of tetracycline destructase Tet(X7) | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Tetracycline destructase Tet(X7) | Authors: | Kumar, H, Tolia, N.H. | Deposit date: | 2020-04-05 | Release date: | 2021-02-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Tetracycline-inactivating enzymes from environmental, human commensal, and pathogenic bacteria cause broad-spectrum tetracycline resistance. Commun Biol, 3, 2020
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4KTC
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![BU of 4ktc by Molmil](/molmil-images/mine/4ktc) | NS3/NS4A protease with inhibitor | Descriptor: | (2R,6S,13aR,14aR,16aS)-6-{[(cyclopentyloxy)carbonyl]amino}-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 3,4-dihydroisoquinoline-2(1H)-carboxylate, NS4A peptide, Serine protease NS3, ... | Authors: | Zhang, H, Ballard, J, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2013-05-20 | Release date: | 2013-08-07 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Discovery of Danoprevir (ITMN-191/R7227), a Highly Selective and Potent Inhibitor of Hepatitis C Virus (HCV) NS3/4A Protease. J.Med.Chem., 57, 2014
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7MBH
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![BU of 7mbh by Molmil](/molmil-images/mine/7mbh) | Structure of Human Enolase 2 in complex with phosphoserine | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Gamma-enolase, ... | Authors: | Leonard, P.G, Hicks, K.G, Rutter, J. | Deposit date: | 2021-03-31 | Release date: | 2022-11-09 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Protein-metabolite interactomics of carbohydrate metabolism reveal regulation of lactate dehydrogenase. Science, 379, 2023
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8DFL
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![BU of 8dfl by Molmil](/molmil-images/mine/8dfl) | |
3NKS
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![BU of 3nks by Molmil](/molmil-images/mine/3nks) | Structure of human protoporphyrinogen IX oxidase | Descriptor: | 5-[2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY]-2-NITROBENZOIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | Authors: | Shen, Y. | Deposit date: | 2010-06-21 | Release date: | 2011-04-20 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural insight into human variegate porphyria disease Faseb J., 25, 2011
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7ORB
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![BU of 7orb by Molmil](/molmil-images/mine/7orb) | Crystal structure of the L452R mutant receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-75 and COVOX-253 Fabs | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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7OR9
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![BU of 7or9 by Molmil](/molmil-images/mine/7or9) | Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-222 and COVOX-278 Fabs | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, COVOX-222 Fab heavy chain, ... | Authors: | Zhou, D, Ren, J, Stuart, D.I. | Deposit date: | 2021-06-04 | Release date: | 2021-07-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Reduced neutralization of SARS-CoV-2 B.1.617 by vaccine and convalescent serum. Cell, 184, 2021
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8HZY
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![BU of 8hzy by Molmil](/molmil-images/mine/8hzy) | |
8HZV
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![BU of 8hzv by Molmil](/molmil-images/mine/8hzv) | The crystal structure of a Radical SAM Enzyme DesII | Descriptor: | GLYCEROL, IRON/SULFUR CLUSTER, METHIONINE, ... | Authors: | Hou, X.L, Zhou, J.H. | Deposit date: | 2023-01-09 | Release date: | 2024-07-10 | Method: | X-RAY DIFFRACTION (2.33001685 Å) | Cite: | Mechanistic Insights from the Crystal Structure and Computational Analysis of the Radical SAM Deaminase DesII. Adv Sci, 2024
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8TLM
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![BU of 8tlm by Molmil](/molmil-images/mine/8tlm) | Structure of a class A GPCR/Fab complex | Descriptor: | C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-07-27 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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6II9
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![BU of 6ii9 by Molmil](/molmil-images/mine/6ii9) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L3A-44 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L3A-44 Fab, Hemagglutinin, ... | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
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6II8
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![BU of 6ii8 by Molmil](/molmil-images/mine/6ii8) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4B-18 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of L4B-18 Fab, Hemagglutinin, ... | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.32 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
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6II4
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![BU of 6ii4 by Molmil](/molmil-images/mine/6ii4) | Crystal structure of H7 hemagglutinin from A/Anhui/1/2013 in complex with a human neutralizing antibody L4A-14 | Descriptor: | Heavy chain of L4A-14 Fab, Hemagglutinin, Light chain of L4A-14 Fab | Authors: | Jiang, H.H, Shi, Y, Qi, J, Gao, G.F. | Deposit date: | 2018-10-03 | Release date: | 2018-10-24 | Last modified: | 2019-02-06 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Structure-function analysis of neutralizing antibodies to H7N9 influenza from naturally infected humans. Nat Microbiol, 4, 2019
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8HBT
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![BU of 8hbt by Molmil](/molmil-images/mine/8hbt) | AmAT7-3 mutant A310G | Descriptor: | AmAT7-3-A310G, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-31 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8H8I
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![BU of 8h8i by Molmil](/molmil-images/mine/8h8i) | Triterpenoid saponin acetyltransferase, AmAT7-3 | Descriptor: | AmAT7-3, Astragaloside IV | Authors: | Wang, L.L. | Deposit date: | 2022-10-22 | Release date: | 2023-09-13 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Characterization and structure-based protein engineering of a regiospecific saponin acetyltransferase from Astragalus membranaceus. Nat Commun, 14, 2023
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8U1U
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![BU of 8u1u by Molmil](/molmil-images/mine/8u1u) | Structure of a class A GPCR/agonist complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | Authors: | Sun, D, Johnson, M, Masureel, M. | Deposit date: | 2023-09-02 | Release date: | 2023-12-20 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8. Nat Commun, 14, 2023
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8WY7
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![BU of 8wy7 by Molmil](/molmil-images/mine/8wy7) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 4 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.83 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WY3
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![BU of 8wy3 by Molmil](/molmil-images/mine/8wy3) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21 | Descriptor: | Bromodomain-containing protein 4, ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]ethanamide | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WYG
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![BU of 8wyg by Molmil](/molmil-images/mine/8wyg) | Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 | Descriptor: | 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide, Bromodomain-containing protein 2 | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.13 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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8WXY
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![BU of 8wxy by Molmil](/molmil-images/mine/8wxy) | Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 23 | Descriptor: | 5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-4-[(2-morpholin-4-yl-2-oxidanylidene-ethyl)amino]pyridin-2-one, Bromodomain-containing protein 4, GLYCEROL | Authors: | Xu, H, Zhao, X, Shen, H, Xu, Y, Wu, X. | Deposit date: | 2023-10-30 | Release date: | 2024-01-24 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | Discovery of Novel Phenoxyaryl Pyridones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with High Selectivity for the Second Bromodomain (BD2) to Potentially Treat Acute Myeloid Leukemia. J.Med.Chem., 67, 2024
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3C4W
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![BU of 3c4w by Molmil](/molmil-images/mine/3c4w) | |
3C4Z
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3C50
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![BU of 3c50 by Molmil](/molmil-images/mine/3c50) | |