5X5O
 
 | | Crystal structure of ZAK in complex with compound D2829 | | Descriptor: | Mitogen-activated protein kinase kinase kinase MLT, N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide | | Authors: | Dai, Y.B, Zhao, P, Yun, C.H. | | Deposit date: | 2017-02-17 | | Release date: | 2017-12-27 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.868 Å) | | Cite: | Structure Based Design of N-(3-((1H-Pyrazolo[3,4-b]pyridin-5-yl)ethynyl)benzenesulfonamides as Selective Leucine-Zipper and Sterile-alpha Motif Kinase (ZAK) Inhibitors.
J. Med. Chem., 60, 2017
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7X6O
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7X6L
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6C9O
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7XN2
 | | Crystal structure of CvkR, a novel MerR-type transcriptional regulator | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Alr3614 protein, DI(HYDROXYETHYL)ETHER | | Authors: | Liang, Y.J, Zhu, T, Ma, H.L, Lu, X.F, Hess, W.R. | | Deposit date: | 2022-04-27 | | Release date: | 2023-03-08 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | CvkR is a MerR-type transcriptional repressor of class 2 type V-K CRISPR-associated transposase systems.
Nat Commun, 14, 2023
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8GV5
 | | Crystal structure of PN-SIA28 in complex with influenza hemagglutinin A/swine/Guangdong/104/2013 (H1N1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, ... | | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.2 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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8GV6
 | | Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H14 (A/long-tailed duck/Wisconsin/10OS3912/2010) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H14-HA1, ... | | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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8GV4
 | | A human broadly neutralizing influenza A hemagglutinin stem-specific antibody PN-SIA28 | | Descriptor: | PN-SIA28 heavy chain, PN-SIA28 light chain | | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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8GV7
 | | Crystal structure of PN-SIA28 in complex with influenza hemagglutinin H18 A/flat-faced bat/Peru/033/2010 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin H18-HA1, ... | | Authors: | Chen, Y, Song, H, Qi, J, Gao, G.F. | | Deposit date: | 2022-09-14 | | Release date: | 2022-12-21 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7UB6
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7UB0
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7UB5
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7VRE
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HCD2892 | | Descriptor: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.507 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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7VP9
 | | Crystal structure of human ClpP in complex with ZG111 | | Descriptor: | (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-(naphthalen-1-ylmethyl)-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide, ATP-dependent Clp protease proteolytic subunit, mitochondrial, ... | | Authors: | Wang, P.Y, Gan, J.H, Yang, C.-G. | | Deposit date: | 2021-10-15 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.552 Å) | | Cite: | Aberrant human ClpP activation disturbs mitochondrial proteome homeostasis to suppress pancreatic ductal adenocarcinoma.
Cell Chem Biol, 29, 2022
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7VRA
 | | The crystal structure of EGFR T790M/C797S with the inhibitor HC5476 | | Descriptor: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane, Epidermal growth factor receptor | | Authors: | Zhu, S.J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-06-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Conformational Constrained 4-(1-Sulfonyl-3-indol)yl-2-phenylaminopyrimidine Derivatives as New Fourth-Generation Epidermal Growth Factor Receptor Inhibitors Targeting T790M/C797S Mutations.
J.Med.Chem., 65, 2022
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7XAF
 | | The crystal structure of TrkA kinase in complex with 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo- tetradecaphan-2-yne-45-carboxamide | | Descriptor: | 4^6,14-dimethyl-N-(3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl)-10-oxo-5-oxa-11,14-diaza-1(3,6)-imidazo[1,2-b]pyridazina-4(1,3)-benzenacyclo-tetradecaphan-2-yne-45-carboxamide, High affinity nerve growth factor receptor | | Authors: | Zhang, Z.M, Wang, Y.J. | | Deposit date: | 2022-03-17 | | Release date: | 2022-06-01 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.001182 Å) | | Cite: | Discovery of the First Highly Selective and Broadly Effective Macrocycle-Based Type II TRK Inhibitors that Overcome Clinically Acquired Resistance.
J.Med.Chem., 65, 2022
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7WYO
 | | Structure of the EV71 3Cpro with 338 inhibitor | | Descriptor: | 3C protein, N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYL
 | | Structure of the EV71 3Cpro with 337 inhibitor | | Descriptor: | 3C protein, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYM
 | | Structure of the SARS-COV-2 main protease with 337 inhibitor | | Descriptor: | 3C-like proteinase nsp5, N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WYP
 | | Structure of the SARS-COV-2 main protease with EN102 inhibitor | | Descriptor: | 3C-like proteinase, N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | | Authors: | Qin, B, Hou, P, Gao, X, Cui, S. | | Deposit date: | 2022-02-16 | | Release date: | 2022-06-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Acrylamide fragment inhibitors that induce unprecedented conformational distortions in enterovirus 71 3C and SARS-CoV-2 main protease.
Acta Pharm Sin B, 12, 2022
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7WVI
 | | Crystal structure of SIA28 | | Descriptor: | Heavy chain of SIA28, Light chain of SIA28 | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.48 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7WVG
 | | Crystal structure of H18 complexed with SIA28 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ... | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7WVD
 | | Crystal structure of H14 complexed with SIA28 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SIA28, ... | | Authors: | Chen, Y, Qi, J, Gao, G.F. | | Deposit date: | 2022-02-10 | | Release date: | 2023-01-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3.39 Å) | | Cite: | Structural basis for a human broadly neutralizing influenza A hemagglutinin stem-specific antibody including H17/18 subtypes.
Nat Commun, 13, 2022
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7Y6D
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7XQ5
 | | Crystal structure of ScIno2p-ScIno4p bound promoter DNA | | Descriptor: | DNA (5'-D(*GP*AP*TP*TP*TP*TP*CP*AP*CP*AP*TP*GP*CP*AP*G)-3'), DNA (5'-D(P*CP*CP*TP*GP*CP*AP*TP*GP*TP*GP*AP*AP*AP*AP*T)-3'), HEXANE-1,6-DIOL, ... | | Authors: | Khan, M.H, Lu, X. | | Deposit date: | 2022-05-06 | | Release date: | 2022-07-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural Analysis of Ino2p/Ino4p Mutual Interactions and Their Binding Interface with Promoter DNA.
Int J Mol Sci, 23, 2022
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