7TLM
 
 | | Structure of Atopobium parvulum SufS | | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karunakaran, G, Couture, J.F. | | Deposit date: | 2022-01-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
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7TLP
 | | Structure of Atopobium parvulum SufS K235R | | Descriptor: | Cysteine desulfurase, N-GLYCINE-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YL-METHANE] | | Authors: | Karunakaran, G, Couture, J.F. | | Deposit date: | 2022-01-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
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7TLQ
 | | Structure of Atopobium parvulum SufS C375S | | Descriptor: | Cysteine desulfurase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Karunakaran, G, Couture, J.F. | | Deposit date: | 2022-01-18 | | Release date: | 2022-02-16 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structural analysis of Atopobium parvulum SufS cysteine desulfurase linked to Crohn's disease.
Febs Lett., 596, 2022
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7BK2
 | | Crystal structure of CHK1-10pt-mutant complex with compound 44 | | Descriptor: | 4-amino-7-methyl-2-({5-methyl-1-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl}amino)-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | | Authors: | Dokurno, P, Surgenor, A.E, Williamson, D.S. | | Deposit date: | 2021-01-15 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design and Synthesis of Pyrrolo[2,3- d ]pyrimidine-Derived Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Checkpoint Kinase 1 (CHK1)-Derived Crystallographic Surrogate.
J.Med.Chem., 64, 2021
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6VQN
 | | Co-crystal structure of human PD-L1 complexed with Compound A | | Descriptor: | N,N'-(2,2'-dimethyl[1,1'-biphenyl]-3,3'-diyl)bis(5-{[(2-hydroxyethyl)amino]methyl}pyridine-2-carboxamide), Programmed cell death 1 ligand 1 | | Authors: | White, A, Lakshminarasimhan, D, Leo, C, Suto, R.K. | | Deposit date: | 2020-02-05 | | Release date: | 2021-01-20 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Checkpoint inhibition through small molecule-induced internalization of programmed death-ligand 1.
Nat Commun, 12, 2021
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6VKF
 | | CCHFV GP38 (IbAr10200) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GP38 | | Authors: | Mishra, A.K, McLellan, J.S. | | Deposit date: | 2020-01-20 | | Release date: | 2020-02-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.524 Å) | | Cite: | Structure and Characterization of Crimean-Congo Hemorrhagic Fever Virus GP38.
J.Virol., 94, 2020
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5GKA
 | | cryo-EM structure of human Aichi virus | | Descriptor: | Genome polyprotein, capsid protein VP0, capsid protein VP1 | | Authors: | Zhu, L, Wang, X.X, Ren, J.S, Tuthill, T.J, Fry, E.E, Rao, Z.H, Stuart, D.I. | | Deposit date: | 2016-07-04 | | Release date: | 2016-09-21 | | Last modified: | 2024-03-27 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structure of human Aichi virus and implications for receptor binding
Nat Microbiol, 1, 2016
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7U62
 | | Crystal structure of Anti-Heroin Antibody HY4-1F9 Fab Complexed with Morphine | | Descriptor: | (7R,7AS,12BS)-3-METHYL-2,3,4,4A,7,7A-HEXAHYDRO-1H-4,12-METHANO[1]BENZOFURO[3,2-E]ISOQUINOLINE-7,9-DIOL, ACETATE ION, HY4-1F9 Fab Heavy Chain, ... | | Authors: | Rodarte, J.V, Pancera, M.P. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7U63
 | | Crystal Structure Anti-Oxycodone Antibody HY2-A12 Fab Complexed with Oxycodone | | Descriptor: | 14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one, HY2-A12 Fab Heavy Chain, HY2-A12 Fab Light Chain | | Authors: | Rodarte, J.V, Pancera, M.P, Weidle, C, Rupert, P.B, Strong, R.K. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7U61
 | | Crystal Structure of Anti-Nicotine Antibody NIC311 Fab Complexed with Nicotine | | Descriptor: | (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE, NIC311 Fab Heavy Chain, NIC311 Fab Light Chain, ... | | Authors: | Rodarte, J.V, Pancera, M.P, Liban, T.L. | | Deposit date: | 2022-03-03 | | Release date: | 2023-01-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structures of drug-specific monoclonal antibodies bound to opioids and nicotine reveal a common mode of binding.
Structure, 31, 2023
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7U64
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5F90
 | | Crystal structure of a Crenomytilus grayanus lectin in complex with Gb3 allyl | | Descriptor: | (2S)-2-hydroxybutanedioic acid, 2-Propen-1-ol, GalNAc/Gal-specific lectin, ... | | Authors: | Liao, J.-H, Huang, K.-F, Tu, I.-F, Lee, I.-M, Wu, S.-H. | | Deposit date: | 2015-12-09 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | A Multivalent Marine Lectin from Crenomytilus grayanus Possesses Anti-cancer Activity through Recognizing Globotriose Gb3
J.Am.Chem.Soc., 138, 2016
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6VX4
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5FNV
 | | a new complex structure of tubulin with an alpha-beta unsaturated lactone | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Wang, Y, Naismith, J, Zhu, X. | | Deposit date: | 2015-11-16 | | Release date: | 2016-05-18 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Pironetin Reacts Covalently with Cysteine-316 of Alpha-Tubulin to Destabilize Microtubule.
Nat.Commun., 7, 2016
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5H4J
 | | Crystal structure of Human dUTPase in complex with N-[(1R)-1-[3-(Cyclopentyloxy)-phenyl]-ethyl]-3-[(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methoxy]-1-propanesulfonamide | | Descriptor: | DIMETHYL SULFOXIDE, Deoxyuridine 5'-triphosphate nucleotidohydrolase, mitochondrial, ... | | Authors: | Chong, K.T, Miyahara, S, Miyakoshi, H, Fukuoka, M. | | Deposit date: | 2016-11-01 | | Release date: | 2017-11-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | TAS-114, a First-in-Class Dual dUTPase/DPD Inhibitor, Demonstrates Potential to Improve Therapeutic Efficacy of Fluoropyrimidine-Based Chemotherapy.
Mol. Cancer Ther., 17, 2018
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8E4F
 | | Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and folate | | Descriptor: | Dihydrofolate reductase, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | | Authors: | Lange, K, Frey, K.M, Goodey, N.M. | | Deposit date: | 2022-08-18 | | Release date: | 2023-05-10 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Crystal structure of dihydrofolate reductase from the filarial nematode W. bancrofti in complex with NADPH and folate.
Plos Negl Trop Dis, 17, 2023
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7CSW
 | | Pseudomonas aeruginosa antitoxin HigA with pa2440 promoter | | Descriptor: | HTH cro/C1-type domain-containing protein, pa2440 | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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7URF
 | | Human HHAT H379C in complex with SHH N-terminal peptide | | Descriptor: | 3H02 heavy chain, 3H02 light chain, Digitonin, ... | | Authors: | Liu, Y, Qi, X, Li, X. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7CSV
 | | Pseudomonas aeruginosa antitoxin HigA | | Descriptor: | HTH cro/C1-type domain-containing protein | | Authors: | Song, Y.J, Luo, G.H, Bao, R. | | Deposit date: | 2020-08-17 | | Release date: | 2021-01-13 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | Pseudomonas aeruginosa antitoxin HigA functions as a diverse regulatory factor by recognizing specific pseudopalindromic DNA motifs.
Environ.Microbiol., 23, 2021
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7C3N
 | | Crystal structure of JAK3 in complex with Delgocitinib | | Descriptor: | 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile, Tyrosine-protein kinase JAK3 | | Authors: | Doi, S, Otira, T, Kikuwaka, M, Nomura, A, Noji, S, Adachi, T. | | Deposit date: | 2020-05-13 | | Release date: | 2020-06-24 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a Janus Kinase Inhibitor Bearing a Highly Three-Dimensional Spiro Scaffold: JTE-052 (Delgocitinib) as a New Dermatological Agent to Treat Inflammatory Skin Disorders.
J.Med.Chem., 63, 2020
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7URE
 | | Human PORCN in complex with palmitoleoylated WNT3A peptide | | Descriptor: | 2C11 heavy chain, 2C11 light chain, Digitonin, ... | | Authors: | Liu, Y, Qi, X, Li, X. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.19 Å) | | Cite: | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URC
 | | Human PORCN in complex with LGK974 | | Descriptor: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ... | | Authors: | Liu, Y, Qi, X, Li, X. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.14 Å) | | Cite: | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URA
 | | Human PORCN in complex with Palmitoleoyl-CoA | | Descriptor: | 2C11 heavy chain, 2C11 light chain, CHOLESTEROL, ... | | Authors: | Liu, Y, Qi, X, Li, X. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7URD
 | | Human PORCN in complex with LGK974 and WNT3A peptide | | Descriptor: | 2-[(2P)-2',3-dimethyl[2,4'-bipyridin]-5-yl]-N-[(5P)-5-(pyrazin-2-yl)pyridin-2-yl]acetamide, 2C11 heavy chain, 2C11 light chain, ... | | Authors: | Liu, Y, Qi, X, Li, X. | | Deposit date: | 2022-04-21 | | Release date: | 2022-07-20 | | Last modified: | 2022-08-10 | | Method: | ELECTRON MICROSCOPY (2.92 Å) | | Cite: | Mechanisms and inhibition of Porcupine-mediated Wnt acylation.
Nature, 607, 2022
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7AKP
 | | Crystal structure of E. coli RNA helicase HrpA-D305A | | Descriptor: | ATP-dependent RNA helicase HrpA | | Authors: | Grass, L.M, Wollenhaupt, J, Barthel, T, Loll, B, Wahl, M.C. | | Deposit date: | 2020-10-01 | | Release date: | 2021-06-30 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Large-scale ratcheting in a bacterial DEAH/RHA-type RNA helicase that modulates antibiotics susceptibility.
Proc.Natl.Acad.Sci.USA, 118, 2021
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