1KVX
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1MKT
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4Q1Q
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5O2F
| Crystal structure of NDM-1 in complex with hydrolyzed ampicillin - new refinement | Descriptor: | (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Raczynska, J.E, Shabalin, I.G, Jaskolski, M, Minor, W, Wlodawer, A. | Deposit date: | 2017-05-20 | Release date: | 2018-12-26 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | A close look onto structural models and primary ligands of metallo-beta-lactamases. Drug Resist. Updat., 40, 2018
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2XTJ
| The crystal structure of PCSK9 in complex with 1D05 Fab | Descriptor: | CALCIUM ION, FAB FROM A HUMAN MONOCLONAL ANTIBODY, 1D05, ... | Authors: | Di Marco, S, Volpari, C, Carfi, A. | Deposit date: | 2010-10-10 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Pcsk9-Binding Antibody that Structurally Mimics the Egf(A) Domain of Ldl-Receptor Reduces Ldl Cholesterol in Vivo. J.Lipid Res., 52, 2011
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6JMD
| Crystal structure of human DHODH in complex with inhibitor 1223 | Descriptor: | 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione, ACETATE ION, Dihydroorotate dehydrogenase (quinone), ... | Authors: | Yu, Y, Chen, Q. | Deposit date: | 2019-03-08 | Release date: | 2020-03-18 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Bifunctional Naphtho[2,3- d ][1,2,3]triazole-4,9-dione Compounds Exhibit Antitumor Effects In Vitro and In Vivo by Inhibiting Dihydroorotate Dehydrogenase and Inducing Reactive Oxygen Species Production. J.Med.Chem., 63, 2020
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8HOG
| Crystal structure of Bcl-2 in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOH
| Crystal structure of Bcl-2 G101V in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8HOI
| Crystal structure of Bcl-2 D103Y in complex with sonrotoclax | Descriptor: | Apoptosis regulator Bcl-2, FORMIC ACID, ~{N}-[4-[(4-methyl-4-oxidanyl-cyclohexyl)methylamino]-3-nitro-phenyl]sulfonyl-4-[2-[(2~{S})-2-(2-propan-2-ylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide | Authors: | Liu, J, Xu, M, Feng, Y, Hong, Y, Liu, Y. | Deposit date: | 2022-12-10 | Release date: | 2024-01-17 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Sonrotoclax overcomes BCL2 G101V mutation-induced venetoclax resistance in preclinical models of hematologic malignancy. Blood, 143, 2024
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8XEP
| Crystal structure of a Legionella pneumophila type IV effector in complex with ubiquitin | Descriptor: | SULFATE ION, Type IV effector MavL, Ubiquitin | Authors: | Tan, J.X, Wang, X.F, Zhou, Y, Zhu, Y.Q. | Deposit date: | 2023-12-12 | Release date: | 2024-05-01 | Last modified: | 2024-07-24 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Legionella effector LnaB is a phosphoryl AMPylase that impairs phosphosignalling. Nature, 631, 2024
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7FEJ
| Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55 | Descriptor: | A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ... | Authors: | He, Y, Li, K, Lou, Z. | Deposit date: | 2021-07-20 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization. J.Virol., 95, 2021
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7FEI
| Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55 | Descriptor: | Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION | Authors: | He, Y, Li, K, Lou, Z. | Deposit date: | 2021-07-20 | Release date: | 2021-09-29 | Last modified: | 2022-02-16 | Method: | ELECTRON MICROSCOPY (3.91 Å) | Cite: | Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization. J.Virol., 95, 2021
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3EIR
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8HTR
| Crystal structure of Bcl2 in complex with S-9c | Descriptor: | 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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8HTS
| Crystal structure of Bcl2 in complex with S-10r | Descriptor: | 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2 | Authors: | Liu, J, Xu, M, Feng, Y, Liu, Y. | Deposit date: | 2022-12-21 | Release date: | 2024-05-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2. J.Med.Chem., 67, 2024
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5YFG
| SOLUTION STRUCTURE OF HUMAN MOG1 | Descriptor: | Ran guanine nucleotide release factor | Authors: | Hu, Q, Liu, Y, Bao, X, Liu, H. | Deposit date: | 2017-09-21 | Release date: | 2017-11-01 | Last modified: | 2024-05-15 | Method: | SOLUTION NMR | Cite: | Mitosis-specific acetylation tunes Ran effector binding for chromosome segregation J Mol Cell Biol, 10, 2018
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4RAP
| Crystal structure of bacterial iron-containing dodecameric glycosyltransferase TibC from enterotoxigenic E.coli H10407 | Descriptor: | 1,2-ETHANEDIOL, FE (III) ION, Glycosyltransferase TibC | Authors: | Yao, Q, Lu, Q, Xu, Y, Shao, F. | Deposit date: | 2014-09-10 | Release date: | 2014-10-29 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.881 Å) | Cite: | A structural mechanism for bacterial autotransporter glycosylation by a dodecameric heptosyltransferase family. Elife, 3, 2014
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3EIT
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4OLS
| The amidase-2 domain of LysGH15 | Descriptor: | Endolysin, FE (III) ION, MAGNESIUM ION, ... | Authors: | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | Deposit date: | 2014-01-24 | Release date: | 2014-06-04 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
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4OLK
| The CHAP domain of LysGH15 | Descriptor: | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, Endolysin | Authors: | Gu, J, Ouyang, S, Liu, Z.J, Han, W. | Deposit date: | 2014-01-24 | Release date: | 2014-05-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.694 Å) | Cite: | Structural and biochemical characterization reveals LysGH15 as an unprecedented "EF-hand-like" calcium-binding phage lysin. Plos Pathog., 10, 2014
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3K8S
| Crystal Structure of PPARg in complex with T2384 | Descriptor: | 2-chloro-N-{3-chloro-4-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}-4-(trifluoromethyl)benzenesulfonamide, Peroxisome proliferator-activated receptor gamma | Authors: | Wang, Z. | Deposit date: | 2009-10-14 | Release date: | 2009-11-03 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | T2384, a novel antidiabetic agent with unique peroxisome proliferator-activated receptor gamma binding properties J.Biol.Chem., 283, 2008
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5UE8
| The crystal structure of Munc13-1 C1C2BMUN domain | Descriptor: | CHLORIDE ION, Protein unc-13 homolog A, ZINC ION | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2016-12-29 | Release date: | 2017-02-15 | Last modified: | 2018-03-28 | Method: | X-RAY DIFFRACTION (3.35 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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5UF7
| CRYSTAL STRUCTURE OF MUNC13-1 MUN DOMAIN | Descriptor: | Protein unc-13 homolog A | Authors: | Tomchick, D.R, Rizo, J, Xu, J. | Deposit date: | 2017-01-03 | Release date: | 2017-02-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.896 Å) | Cite: | Mechanistic insights into neurotransmitter release and presynaptic plasticity from the crystal structure of Munc13-1 C1C2BMUN. Elife, 6, 2017
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8VTT
| Meis1 homeobox domain bound to neomycin fragment | Descriptor: | Homeobox protein Meis1, RIBOSTAMYCIN, SULFATE ION | Authors: | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N, Sadek, H.A. | Deposit date: | 2024-01-27 | Release date: | 2024-02-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Identification of FDA-approved drugs that induce heart regeneration in mammals. Nat Cardiovasc Res, 3, 2024
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8VTS
| Meis1 homeobox domain bound to paromomycin fragment | Descriptor: | 1,2-ETHANEDIOL, Homeobox protein Meis1, ISOPROPYL ALCOHOL, ... | Authors: | Tomchick, D.R, Ahmed, M.S, Nguyen, N.U.N. | Deposit date: | 2024-01-27 | Release date: | 2024-02-14 | Last modified: | 2024-09-11 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Identification of FDA-approved drugs that induce heart regeneration in mammals. Nat Cardiovasc Res, 3, 2024
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