1HVC
 
 | | CRYSTAL STRUCTURE OF A TETHERED DIMER OF HIV-1 PROTEASE COMPLEXED WITH AN INHIBITOR | | Descriptor: | HIV-1 PROTEASE, N-{1-BENZYL-(2S,3S)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE | | Authors: | Bhat, T.N, Baldwin, E.T, Erickson, J.W. | | Deposit date: | 1994-06-22 | | Release date: | 1994-10-15 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of a tethered dimer of HIV-1 proteinase complexed with an inhibitor.
Nat.Struct.Biol., 1, 1994
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1HPX
 | | HIV-1 PROTEASE COMPLEXED WITH THE INHIBITOR KNI-272 | | Descriptor: | (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide, HIV-1 PROTEASE | | Authors: | Bhat, T.N, Erickson, J.W. | | Deposit date: | 1995-05-18 | | Release date: | 1996-03-08 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure of HIV-1 protease with KNI-272, a tight-binding transition-state analog containing allophenylnorstatine.
Structure, 3, 1995
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8IGO
 | | Crystal structure of apo SARS-CoV-2 main protease | | Descriptor: | 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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8IGN
 | | Crystal structure of SARS-CoV-2 main protease in complex with RAY1216 | | Descriptor: | (3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide, 3C-like proteinase nsp5 | | Authors: | Huang, X, Zhou, B, Xu, J, Yang, Z, Zhong, N, Xiong, X. | | Deposit date: | 2023-02-21 | | Release date: | 2023-04-05 | | Last modified: | 2024-04-17 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Preclinical evaluation of the SARS-CoV-2 M pro inhibitor RAY1216 shows improved pharmacokinetics compared with nirmatrelvir.
Nat Microbiol, 9, 2024
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1T0Z
 | | Structure of an Excitatory Insect-specific Toxin with an Analgesic Effect on Mammalian from Scorpion Buthus martensii Karsch | | Descriptor: | SULFATE ION, insect neurotoxin | | Authors: | Li, C, Guan, R.-J, Xiang, Y, Zhang, Y, Wang, D.-C. | | Deposit date: | 2004-04-14 | | Release date: | 2004-12-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of an excitatory insect-specific toxin with an analgesic effect on mammals from the scorpion Buthus martensii Karsch.
Acta Crystallogr.,Sect.D, 61, 2005
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7N9Z
 | | E. coli cytochrome bo3 in MSP nanodisc | | Descriptor: | 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, CARDIOLIPIN, ... | | Authors: | Vallese, F, Clarke, O.B. | | Deposit date: | 2021-06-19 | | Release date: | 2021-09-01 | | Method: | ELECTRON MICROSCOPY (2.19 Å) | | Cite: | Cryo-EM structures of Escherichia coli cytochrome bo 3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site.
Proc.Natl.Acad.Sci.USA, 118, 2021
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7N5U
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 21) | | Descriptor: | DNA Strain II, DNA Strand I, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.86 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5W
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 23) | | Descriptor: | 1,2-ETHANEDIOL, DNA Strand I, DNA Strand II, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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7N5V
 | | ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing GGACCC (Oligo 20) | | Descriptor: | DNA Strand I, DNA Strand II, ZINC ION, ... | | Authors: | Horton, J.R, Ren, R, Cheng, X. | | Deposit date: | 2021-06-06 | | Release date: | 2022-06-08 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.08 Å) | | Cite: | Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
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2H96
 | | Discovery of Potent, Highly Selective, and Orally Bioavailable Pyridine Carboxamide C-jun NH2-terminal Kinase Inhibitors | | Descriptor: | 5-CYANO-N-(2,5-DIMETHOXYBENZYL)-6-ETHOXYPYRIDINE-2-CARBOXAMIDE, C-jun-amino-terminal kinase-interacting protein 1, GLYCEROL, ... | | Authors: | Abad-Zapatero, C. | | Deposit date: | 2006-06-09 | | Release date: | 2006-07-25 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery of potent, highly selective, and orally bioavailable pyridine carboxamide c-Jun NH2-terminal kinase inhibitors.
J.Med.Chem., 49, 2006
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7PPA
 | | High resolution structure of bone morphogenetic protein receptor type II (BMPRII) extracellular domain in complex with BMP10 | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, GLYCEROL | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPC
 | | Ternary signalling complex of BMP10 bound to ALK1 and BMPRII | | Descriptor: | Bone morphogenetic protein 10, Bone morphogenetic protein receptor type-2, Serine/threonine-protein kinase receptor R3 | | Authors: | Guo, J, Yu, M, Read, R.J, Li, W. | | Deposit date: | 2021-09-13 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POI
 | | Prodomain bound BMP10 crystal form 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, D(-)-TARTARIC ACID | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7POJ
 | | Prodomain bound BMP10 crystal form 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Bone morphogenetic protein 10, TETRAETHYLENE GLYCOL | | Authors: | Guo, J, Yu, M, Li, W. | | Deposit date: | 2021-09-09 | | Release date: | 2022-05-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | Crystal structures of BMPRII extracellular domain in binary and ternary receptor complexes with BMP10.
Nat Commun, 13, 2022
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7PPB
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7N0C
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7N0D
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7N0B
 | | Cryo-EM structure of SARS-CoV-2 nsp10-nsp14 (WT)-RNA complex | | Descriptor: | CALCIUM ION, Non-structural protein 10, Proofreading exoribonuclease, ... | | Authors: | Liu, C, Yang, Y. | | Deposit date: | 2021-05-25 | | Release date: | 2021-07-28 | | Last modified: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural basis of mismatch recognition by a SARS-CoV-2 proofreading enzyme.
Science, 373, 2021
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4Z55
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2LMC
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8J5J
 | | The crystal structure of bat coronavirus RsYN04 RBD bound to the antibody S43 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, nano antibody S43 | | Authors: | Zhao, R.C, Niu, S, Han, P, Qi, J.X, Gao, G.F, Wang, Q.H. | | Deposit date: | 2023-04-23 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Cross-species recognition of bat coronavirus RsYN04 and cross-reaction of SARS-CoV-2 antibodies against the virus.
Zool.Res., 44, 2023
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1EER
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1FSH
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3TV6
 | | Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor | | Descriptor: | 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Sturgis, H.L, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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3TV4
 | | Human B-Raf Kinase Domain in Complex with an Bromopyridine Benzamide Inhibitor | | Descriptor: | N-(6-amino-5-bromopyridin-3-yl)-2,6-difluoro-3-[(propylsulfonyl)amino]benzamide, Serine/threonine-protein kinase B-raf | | Authors: | Voegtli, W.C, Selby, L.T, Wu, W.-I. | | Deposit date: | 2011-09-19 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Pyrazolopyridine Inhibitors of B-Raf(V600E). Part 1: The Development of Selective, Orally Bioavailable, and Efficacious Inhibitors.
ACS Med Chem Lett, 2, 2011
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