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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4X3X
 | | The crystal structure of Arc C-lobe | | Descriptor: | Activity-regulated cytoskeleton-associated protein | | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | | Deposit date: | 2014-12-01 | | Release date: | 2015-06-03 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
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8HHT
 | | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2022-11-17 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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8HHU
 | | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | | Deposit date: | 2022-11-17 | | Release date: | 2023-03-29 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (2.258 Å) | | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants.
Signal Transduct Target Ther, 8, 2023
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4X3H
 | | CRYSTAL STRUCTURE OF ARC N-LOBE COMPLEXED WITH STARGAZIN PEPTIDE | | Descriptor: | Activity-regulated cytoskeleton-associated protein, VOLTAGE-DEPENDENT CALCIUM CHANNEL GAMMA-2 SUBUNIT | | Authors: | zhang, W, ward, m, leahy, d, worley, p. | | Deposit date: | 2014-11-30 | | Release date: | 2015-06-03 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.401 Å) | | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
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4X3I
 | | The crystal structure of Arc N-lobe complexed with CAMK2A fragment | | Descriptor: | Activity-regulated cytoskeleton-associated protein, CALCIUM/CALMODULIN-DEPENDENT PROTEIN KINASE TYPE II SUBUNIT ALPHA | | Authors: | Zhang, W, Ward, M, Leahy, D, Worley, P. | | Deposit date: | 2014-11-30 | | Release date: | 2015-06-03 | | Last modified: | 2017-09-27 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis of arc binding to synaptic proteins: implications for cognitive disease.
Neuron, 86, 2015
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8IKH
 | | Cryo-EM structure of human receptor with G proteins | | Descriptor: | 3-[(1R)-1-(2-methoxyphenyl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, S.Y, Shao, Z.H. | | Deposit date: | 2023-02-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8IKG
 | | Cryo-EM structure of human receptor with G proteins | | Descriptor: | 3-[(1S)-1-(furan-2-yl)-2-nitro-ethyl]-2-phenyl-1H-indole, Cannabinoid receptor 1, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Shen, S.Y, Shao, Z.H. | | Deposit date: | 2023-02-28 | | Release date: | 2024-06-05 | | Last modified: | 2024-07-17 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structure-based identification of a G protein-biased allosteric modulator of cannabinoid receptor CB1.
Proc.Natl.Acad.Sci.USA, 121, 2024
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6J1O
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6J46
 | | LepI-SAH complex structure | | Descriptor: | O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-01 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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6J24
 | | Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate | | Descriptor: | (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE | | Authors: | Qiu, S, Wei, C. | | Deposit date: | 2018-12-30 | | Release date: | 2019-05-01 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.244 Å) | | Cite: | Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
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5KWA
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4YQM
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-27 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide, Glutathione S-transferase omega-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-10-12 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.38 Å) | | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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4YQV
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C4-10 | | Descriptor: | 2-(ethylsulfanyl)-N-methyl-N-[(1-phenyl-1H-pyrazol-4-yl)methyl]acetamide, Glutathione S-transferase omega-1 | | Authors: | Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-10-12 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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3L9M
 | | Crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 18 | | Descriptor: | (2S)-N~1~-[5-(3-methyl-1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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4YQU
 | | Glutathione S-transferase Omega 1 bound to covalent inhibitor C1-31 | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Glutathione S-transferase omega-1, N-{5-(azepan-1-ylsulfonyl)-2-[(ethylsulfanyl)methoxy]phenyl}acetamide | | Authors: | Stuckey, J.A. | | Deposit date: | 2015-03-13 | | Release date: | 2016-10-12 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.94 Å) | | Cite: | Mechanistic evaluation and transcriptional signature of a glutathione S-transferase omega 1 inhibitor.
Nat Commun, 7, 2016
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3L9N
 | | crystal structure of PKAB3 (pka triple mutant V123A, L173M, Q181K) with compound 27 | | Descriptor: | (2S)-N~1~-[5-(1H-indazol-5-yl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)propane-1,2-diamine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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3L9L
 | | Crystal structure of pka with compound 36 | | Descriptor: | 5-[2-({(2S)-2-amino-3-[4-(trifluoromethyl)phenyl]propyl}amino)-1,3-thiazol-5-yl]-1,3-dihydro-2H-indol-2-one, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Huang, X. | | Deposit date: | 2010-01-05 | | Release date: | 2011-01-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Azole-based inhibitors of AKT/PKB for the treatment of cancer.
Bioorg.Med.Chem.Lett., 20, 2010
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5K6D
 | | Structure of FS50 an antagonist of NaV1.5 | | Descriptor: | Putative secreted salivary protein | | Authors: | Andersen, J.F, Xu, X. | | Deposit date: | 2016-05-24 | | Release date: | 2016-11-23 | | Method: | X-RAY DIFFRACTION (1.139 Å) | | Cite: | Structure and Function of FS50, a salivary protein from the flea Xenopsylla cheopis that blocks the sodium channel NaV1.5.
Sci Rep, 6, 2016
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4ZZ3
 | | Human GAR transformylase in complex with GAR and pemetrexed | | Descriptor: | GLYCINAMIDE RIBONUCLEOTIDE, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.504 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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4ZZ1
 | | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({4-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-2-CARBONYL}-AMINO)-PENTANEDIOIC ACID | | Descriptor: | (S)-2-({4-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-2-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.351 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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4ZZ2
 | | HUMAN GAR TRANSFORMYLASE IN COMPLEX WITH GAR AND (S)-2-({5-[3-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-6-YL)-PROPYL]-THIOPHENE-3-CARBONYL}-AMINO)-PENTANEDIOIC ACID | | Descriptor: | (S)-2-({5-[3-(2-Amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)-propyl]-thiophene-3-carbonyl}-amino)-pentanedioic acid, GLYCINAMIDE RIBONUCLEOTIDE, Trifunctional purine biosynthetic protein adenosine-3 | | Authors: | Deis, S.M, Dann III, C.E. | | Deposit date: | 2015-05-22 | | Release date: | 2015-12-16 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.451 Å) | | Cite: | 6-Substituted Pyrrolo[2,3-d]pyrimidine Thienoyl Regioisomers as Targeted Antifolates for Folate Receptor alpha and the Proton-Coupled Folate Transporter in Human Tumors.
J.Med.Chem., 58, 2015
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7XHA
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