6ZNV
 
 | | Protein polybromo-1 (PB1 BD2) Bound To DP28 | | Descriptor: | 1,2-ETHANEDIOL, 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol, ACETATE ION, ... | | Authors: | Preuss, F, Mathea, S, Chatterjee, D, Wanior, M, Joerger, A.C, Knapp, S. | | Deposit date: | 2020-07-06 | | Release date: | 2020-08-26 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.14 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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6ZS2
 | | Crystal Structure of the bromodomain of human transcription activator BRG1 (SMARCA4) in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol | | Descriptor: | 1,2-ETHANEDIOL, 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol, Transcription activator BRG1 | | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-15 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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6ZS4
 | | Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | Descriptor: | 1,2-ETHANEDIOL, Protein polybromo-1, tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate | | Authors: | Preuss, F, Joerger, A.C, Kraemer, A, Wanior, M, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-07-15 | | Release date: | 2020-10-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Pan-SMARCA/PB1 Bromodomain Inhibitors and Their Role in Regulating Adipogenesis.
J.Med.Chem., 63, 2020
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2REO
 | | Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP | | Descriptor: | ADENOSINE-3'-5'-DIPHOSPHATE, Putative sulfotransferase 1C3 | | Authors: | Tempel, W, Pan, P, Dong, A, Loppnau, P, Arrowsmith, C.H, Edwards, A.M, Sundstrom, M, Weigelt, J, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2007-09-26 | | Release date: | 2007-10-09 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (2.651 Å) | | Cite: | Crystal structure of human sulfotransferase 1C3 (Sult1C3) in complex with PAP.
To be Published
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8U27
 | | Bcl-2-xL complexed with compound 35 | | Descriptor: | Apoptosis regulator Bcl-2, Bcl-2-like protein 1 chimera, propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate | | Authors: | Rizo, J, Pan, Y.-Z. | | Deposit date: | 2023-09-05 | | Release date: | 2023-09-13 | | Last modified: | 2023-11-08 | | Method: | SOLUTION NMR | | Cite: | Structural insights for selective disruption of Beclin 1 binding to Bcl-2.
Commun Biol, 6, 2023
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4BGH
 | | Crystal Structure of CDK2 in complex with pan-CDK Inhibitor | | Descriptor: | 4-((5-BROMO-4-(PROP-2-YN-1-YLAMINO)PYRIMIDIN-2-YL)AMINO)BENZENESULFONAMIDE, CYCLIN-DEPENDENT KINASE 2 | | Authors: | Luecking, U, Jautelat, R, Krueger, M, Brumby, T, Lienau, P, Schaefer, M, Briem, H, Schulze, J, Hillisch, A, Reichel, A, Siemeister, G. | | Deposit date: | 2013-03-26 | | Release date: | 2013-09-04 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | The Lab Oddity Prevails: Discovery of Pan-Cdk Inhibitor (R)- S-Cyclopropyl-S-(4-{[4-{[(1R,2R)-2-Hydroxy-1-Methylpropyl]Oxy}-5-(Trifluoromethyl)Pyrimidin-2-Yl]Amino}Phenyl)Sulfoximide (Bay 1000394) for the Treatment of Cancer.
Chemmedchem, 8, 2013
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3OW3
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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3OW4
 | | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, GSK 3 beta peptide, RAC-alpha serine/threonine-protein kinase | | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | | Deposit date: | 2010-09-17 | | Release date: | 2010-11-10 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors.
Bioorg.Med.Chem.Lett., 20, 2010
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6J5L
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3SHU
 | | Crystal structure of ZO-1 PDZ3 | | Descriptor: | Tight junction protein ZO-1 | | Authors: | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core
To be Published
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3SHW
 | | Crystal structure of ZO-1 PDZ3-SH3-Guk supramodule complex with Connexin-45 peptide | | Descriptor: | Gap junction gamma-1 protein, Tight junction protein ZO-1 | | Authors: | Yu, J, Pan, L, Chen, J, Yu, H, Zhang, M. | | Deposit date: | 2011-06-17 | | Release date: | 2011-09-28 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Structure of the PDZ3-SH3-GuK Tandem of ZO-1 Suggests a Supramodular Organization of the Conserved MAGUK Family Scaffold Core
To be Published
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7D5L
 | | Discovery of BMS-986144, a Third Generation, Pan Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection | | Descriptor: | NS3/4A Protease, ZINC ION, [1,1,1-tris(fluoranyl)-2-methyl-propan-2-yl] ~{N}-[(1~{S},4~{R},6~{S},7~{Z},11~{R},13~{R},14~{S},18~{R})-13-ethyl-18-(7-fluoranyl-6-methoxy-isoquinolin-1-yl)oxy-11-methyl-4-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2,15-bis(oxidanylidene)-3,16-diazatricyclo[14.3.0.0^{4,6}]nonadec-7-en-14-yl]carbamate | | Authors: | Ghosh, K, Anumula, R, Kumar, A. | | Deposit date: | 2020-09-26 | | Release date: | 2020-12-16 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Discovery of BMS-986144, a Third-Generation, Pan-Genotype NS3/4A Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 63, 2020
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2KBQ
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6NHW
 | | Structure of the transmembrane domain of the Death Receptor 5 - Dimer of Trimer | | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | | Authors: | Chou, J.J, Pan, L, Fu, Q, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
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6NHY
 | | Structure of the transmembrane domain of the Death Receptor 5 mutant (G217Y) - Trimer Only | | Descriptor: | Tumor necrosis factor receptor superfamily member 10B | | Authors: | Chou, J.J, Pan, L, Zhao, L, Chen, W, Piai, A, Fu, T, Wu, H, Liu, Z. | | Deposit date: | 2018-12-24 | | Release date: | 2019-02-27 | | Last modified: | 2023-06-14 | | Method: | SOLUTION NMR | | Cite: | Higher-Order Clustering of the Transmembrane Anchor of DR5 Drives Signaling.
Cell, 176, 2019
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7V2A
 | | SARS-CoV-2 Spike trimer in complex with XG014 Fab | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, The heavy chain of XG014, ... | | Authors: | Wang, K, Wang, X, Pan, L. | | Deposit date: | 2021-08-07 | | Release date: | 2021-10-20 | | Last modified: | 2022-07-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | An ultrapotent pan-beta-coronavirus lineage B ( beta-CoV-B) neutralizing antibody locks the receptor-binding domain in closed conformation by targeting its conserved epitope.
Protein Cell, 13, 2022
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8U6X
 | | ATP-dependent DNA ligase Lig E from Neisseria gonorrhoeae | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*AP*TP*TP*GP*CP*GP*AP*CP*CP*CP*CP*AP*CP*TP*AP*TP*CP*GP*GP*AP*A)-3'), DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), ... | | Authors: | Williamson, A, Pan, J. | | Deposit date: | 2023-09-14 | | Release date: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | A role for the ATP-dependent DNA ligase lig E of Neisseria gonorrhoeae in biofilm formation.
Bmc Microbiol., 24, 2024
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8GUE
 | | Crystal Structure of narbomycin-bound cytochrome P450 PikC with the unnatural amino acid p-Acetyl-L-Phenylalanine incorporated at position 238 | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cytochrome P450 monooxygenase PikC, ... | | Authors: | Li, G.B, Pan, Y.J, Li, S.Y, Gao, X. | | Deposit date: | 2022-09-11 | | Release date: | 2023-02-15 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unnatural activities and mechanistic insights of cytochrome P450 PikC gained from site-specific mutagenesis by non-canonical amino acids.
Nat Commun, 14, 2023
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7E9Q
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 out RBD, state3) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-03-04 | | Release date: | 2022-03-09 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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7E9O
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(3 up RBDs, state2) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-03-04 | | Release date: | 2022-03-09 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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7E9P
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7ENG
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7E9N
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-03-04 | | Release date: | 2022-04-06 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.69 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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7ENF
 | | Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 | | 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 Fab30, ... | | Authors: | Wang, X.F, Zhu, Y.Q. | | Deposit date: | 2021-04-16 | | Release date: | 2022-04-06 | | Last modified: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
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5YAZ
 | | Crystal structure of the ANKRD domain of KANK1 | | Descriptor: | ACETATE ION, KN motif and ankyrin repeat domains 1 | | Authors: | Wei, Z, Pan, W. | | Deposit date: | 2017-09-02 | | Release date: | 2017-12-20 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structural insights into ankyrin repeat-mediated recognition of the kinesin motor protein KIF21A by KANK1, a scaffold protein in focal adhesion.
J. Biol. Chem., 293, 2018
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