8QNI
 
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8QNG
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8QNH
 | | Crystal structure of the E3 ubiquitin ligase Cbl-b with an allosteric inhibitor (WO2020264398 Ex23) | | Descriptor: | 2-{3-[(1s,3R)-3-methyl-1-(4-methyl-4H-1,2,4-triazol-3-yl)cyclobutyl]phenyl}-6-{[(3S)-3-methylpiperidin-1-yl]methyl}-4-(trifluoromethyl)-2,3-dihydro-1H-isoindol-1-one, E3 ubiquitin-protein ligase CBL-B, SODIUM ION, ... | | Authors: | Schimpl, M. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-01-03 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Discovery of a Novel Benzodiazepine Series of Cbl-b Inhibitors for the Enhancement of Antitumor Immunity.
Acs Med.Chem.Lett., 14, 2023
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8WJY
 | | PKMYT1_Cocrystal_Cpd 4 | | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase, ... | | Authors: | Wang, Y, Wang, C, Liu, T, Qi, H, Chen, S, Cai, X, Zhang, M, Aliper, A, Ren, F, Ding, X, Zhavoronkov, A. | | Deposit date: | 2023-09-26 | | Release date: | 2023-11-22 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Discovery of Tetrahydropyrazolopyrazine Derivatives as Potent and Selective MYT1 Inhibitors for the Treatment of Cancer.
J.Med.Chem., 67, 2024
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8WIX
 | | cryo-EM structure of alligator haemoglobin in carbonmonoxy form | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.29 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WJ1
 | | cryo-EM structure of human haemoglobin in oxy form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.27 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WJ0
 | | cryo-EM structure of human haemoglobin in carbonmonoxy form | | Descriptor: | CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.24 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WIY
 | | cryo-EM structure of alligator haemoglobin in oxy form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, OXYGEN MOLECULE, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.31 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WJ2
 | | cryo-EM structure of human haemoglobin in deoxy form | | Descriptor: | Hemoglobin subunit alpha, Hemoglobin subunit beta, PROTOPORPHYRIN IX CONTAINING FE | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.35 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8WIZ
 | | cryo-EM structure of alligator haemoglobin in deoxy form | | Descriptor: | BICARBONATE ION, Hemoglobin subunit alpha, Hemoglobin subunit beta, ... | | Authors: | Takahashi, K, Lee, Y, Fago, A, Bautista, N.M, Kawamoto, A, Kurisu, G, Storz, J, Nishizawa, T, Tame, J.R.H. | | Deposit date: | 2023-09-25 | | Release date: | 2024-08-14 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | The unique allosteric property of crocodilian haemoglobin elucidated by cryo-EM.
Nat Commun, 15, 2024
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8UC8
 | | HCN1 nanodisc | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Kim, E.D, Nimigean, C.M. | | Deposit date: | 2023-09-25 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
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8UC7
 | | HCN1 complex with propofol | | Descriptor: | 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2,6-BIS(1-METHYLETHYL)PHENOL, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 1 | | Authors: | Kim, E.D, Nimigean, C.M. | | Deposit date: | 2023-09-25 | | Release date: | 2024-07-31 | | Last modified: | 2024-08-28 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Propofol rescues voltage-dependent gating of HCN1 channel epilepsy mutants.
Nature, 632, 2024
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8WI2
 | | RD-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5, CYS-GLN-ASP-ALA-LEU-GLU-THR-ALA-ALA-ARG-ALA-GLU-GLY-LEU-SER-LEU-ASP-ALA-SER | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (4.06 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI3
 | | ND-hMRP5-inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.38 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI0
 | | wt-hMRP5 inward-open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (2.93 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI5
 | | M5PI-bound hMRP5 | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8WI4
 | | m6-hMRP5 inward open | | Descriptor: | ATP-binding cassette sub-family C member 5 | | Authors: | Liu, Z.M, Huang, Y. | | Deposit date: | 2023-09-24 | | Release date: | 2024-07-03 | | Method: | ELECTRON MICROSCOPY (3.2 Å) | | Cite: | Inhibition and transport mechanisms of the ABC transporter hMRP5.
Nat Commun, 15, 2024
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8QMO
 | | Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, AH receptor-interacting protein, Aryl hydrocarbon receptor, ... | | Authors: | Kwong, H.S, Grandvuillemin, L, Sirounian, S, Ancelin, A, Lai-Kee-Him, J, Carivenc, C, Lancey, C, Ragan, T.J, Hesketh, E.L, Bourguet, W, Gruszczyk, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-01-10 | | Last modified: | 2024-02-28 | | Method: | ELECTRON MICROSCOPY (2.76 Å) | | Cite: | Structural Insights into the Activation of Human Aryl Hydrocarbon Receptor by the Environmental Contaminant Benzo[a]pyrene and Structurally Related Compounds.
J.Mol.Biol., 436, 2024
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8UBR
 | | Complex of the phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with CFTRinh-172 and ATP/Mg | | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, 4-[(Z)-{(3M)-4-oxo-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-5-ylidene}methyl]benzoic acid, ADENOSINE-5'-TRIPHOSPHATE, ... | | Authors: | Young, P.G, Fiedorczuk, K, Chen, J. | | Deposit date: | 2023-09-24 | | Release date: | 2024-02-21 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Structural basis for CFTR inhibition by CFTR inh -172.
Proc.Natl.Acad.Sci.USA, 121, 2024
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8UAP
 | | Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 D311N in Complex with CCG273441 | | Descriptor: | (3Z)-3-{[4-(2-chloroacetamido)-3,5-dimethyl-1H-pyrrol-2-yl]methylidene}-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | | Authors: | Chen, Y, Tesmer, J.J.G. | | Deposit date: | 2023-09-21 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
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8UAQ
 | | Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21 | | Descriptor: | (3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide, G protein-coupled receptor kinase 5 | | Authors: | Chen, Y, Tesmer, J.J.G. | | Deposit date: | 2023-09-21 | | Release date: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Development of a new class of potent and highly selective G protein-coupled receptor kinase 5 inhibitors and structural insight from crystal structures of inhibitor complexes.
Eur.J.Med.Chem., 264, 2023
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8UAK
 | | Crystal structure of the catalytic domain of human PKC alpha (D463N, V568I, S657E) in complex with Darovasertib (NVP-LXS196) at 2.82-A resolution | | Descriptor: | (6M)-3-amino-N-[3-(4-amino-4-methylpiperidin-1-yl)pyridin-2-yl]-6-[3-(trifluoromethyl)pyridin-2-yl]pyrazine-2-carboxamide, Protein kinase C alpha type | | Authors: | Romanowski, M.J, Lam, J, Visser, M. | | Deposit date: | 2023-09-21 | | Release date: | 2024-01-24 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.82 Å) | | Cite: | Discovery of Darovasertib (NVP-LXS196), a Pan-PKC Inhibitor for the Treatment of Metastatic Uveal Melanoma.
J.Med.Chem., 67, 2024
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8WGF
 | | The Crystal Structure of JNK3 from Biortus. | | Descriptor: | MAGNESIUM ION, Mitogen-activated protein kinase 10, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER | | Authors: | Wang, F, Cheng, W, Lv, Z, Ju, C, Wang, J. | | Deposit date: | 2023-09-21 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Crystal Structure of JNK3 from Biortus.
To Be Published
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8QLR
 | | Human MST3 (STK24) kinase in complex with inhibitor MR24 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-2-[1,3-bis(oxidanyl)propan-2-ylamino]-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
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8QLT
 | | Human MST3 (STK24) kinase in complex with inhibitor MR30 | | Descriptor: | 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-[3-(2-oxidanylidenepyrrolidin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-one, Serine/threonine-protein kinase 24 | | Authors: | Balourdas, D.I, Rak, M, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) | | Deposit date: | 2023-09-20 | | Release date: | 2023-11-08 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Development of Selective Pyrido[2,3- d ]pyrimidin-7(8 H )-one-Based Mammalian STE20-Like (MST3/4) Kinase Inhibitors.
J.Med.Chem., 67, 2024
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