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8WI5
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BU of 8wi5 by Molmil
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
8WI2
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BU of 8wi2 by Molmil
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
8WI3
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BU of 8wi3 by Molmil
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
8WI4
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BU of 8wi4 by Molmil
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
8QMO
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BU of 8qmo by Molmil
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
8UBR
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BU of 8ubr by Molmil
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
8UAP
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BU of 8uap by Molmil
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
8UAQ
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BU of 8uaq by Molmil
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
8UAK
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BU of 8uak by Molmil
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
8WGF
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BU of 8wgf by Molmil
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
8QLR
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BU of 8qlr by Molmil
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
8QLS
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BU of 8qls by Molmil
Human MST3 (STK24) kinase in complex with inhibitor MR26
Descriptor: 1,2-ETHANEDIOL, 8-(4-azanylbutyl)-6-[2-chloranyl-4-(6-methylpyridin-2-yl)phenyl]-2-(3-morpholin-4-ylpropylamino)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 (1.61 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
8QLT
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BU of 8qlt by Molmil
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
8QLQ
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BU of 8qlq by Molmil
Human MST3 (STK24) kinase in complex with macrocyclic inhibitor JA310
Descriptor: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 24, macrocyclic inhibitor
Authors:Balourdas, D.I, Amrhein, J.A, Hanke, T, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC)
Deposit date:2023-09-20
Release date:2023-11-08
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Synthesis of Pyrazole-Based Macrocycles Leads to a Highly Selective Inhibitor for MST3.
J.Med.Chem., 67, 2024
8WG8
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BU of 8wg8 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GCGR
Descriptor: Glucagon receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-20
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WG7
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BU of 8wg7 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GLP-1R
Descriptor: Glucagon-like peptide 1 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-20
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WFY
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BU of 8wfy by Molmil
The Crystal Structure of SHP2 from Biortus.
Descriptor: 6-(4-azanyl-4-methyl-piperidin-1-yl)-3-[2,3-bis(chloranyl)phenyl]pyrazin-2-amine, Tyrosine-protein phosphatase non-receptor type 11
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Li, J.
Deposit date:2023-09-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The Crystal Structure of SHP2 from Biortus.
To Be Published
8WFR
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BU of 8wfr by Molmil
The Crystal Structure of PCSK9 from Biortus.
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Wang, F, Cheng, W, Lv, Z, Meng, Q, Lu, Y.
Deposit date:2023-09-20
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Crystal Structure of PCSK9 from Biortus.
To Be Published
8WF5
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BU of 8wf5 by Molmil
Horse heart myoglobin reconstituted with an iron complex of porphyrin bearing two CF3 groups (rMb(FePor(CF3)2))
Descriptor: GLYCEROL, Myoglobin, PROTOPORPHYRIN(CF3)2 CONTAINING FE, ...
Authors:Kagawa, Y, Oohora, K, Himiyama, T, Suzuki, A, Hayashi, T.
Deposit date:2023-09-19
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Redox Engineering of Myoglobin by Cofactor Substitution to Enhance Cyclopropanation Reactivity.
Angew.Chem.Int.Ed.Engl., 2024
8WF4
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BU of 8wf4 by Molmil
The Crystal Structure of RSK1 from Biortus.
Descriptor: 1,2-ETHANEDIOL, Ribosomal protein S6 kinase alpha-1
Authors:Wang, F, Cheng, W, Lv, Z, Qi, J, Li, J.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:The Crystal Structure of RSK1 from Biortus.
To Be Published
8WFF
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BU of 8wff by Molmil
The Crystal Structure of LYN from Biortus.
Descriptor: CHLORIDE ION, CITRATE ANION, Tyrosine-protein kinase Lyn
Authors:Wang, F, Cheng, W, Yuan, Z, Qi, J, Lu, Y.
Deposit date:2023-09-19
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:The Crystal Structure of LYN from Biortus.
To Be Published
8U95
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BU of 8u95 by Molmil
The structure of myosin heavy chain from Drosophila melanogaster flight muscle thick filaments
Descriptor: Myosin heavy chain, isoform U
Authors:Abbasi Yeganeh, F, Rastegarpouyani, H, Li, J, Taylor, K.A.
Deposit date:2023-09-18
Release date:2023-10-18
Last modified:2023-11-01
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure of the Drosophila melanogaster Flight Muscle Myosin Filament at 4.7 angstrom Resolution Reveals New Details of Non-Myosin Proteins.
Int J Mol Sci, 24, 2023
8U8J
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BU of 8u8j by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #16
Descriptor: (4M)-4-{(4R)-3-[(2S)-2-methylbutyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(1-methyl-1H-pyrazol-5-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8U8K
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BU of 8u8k by Molmil
Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8
Descriptor: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1
Authors:Anderson, J.W, Vigers, G.P.
Deposit date:2023-09-18
Release date:2024-03-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2.
Elife, 12, 2024
8WEJ
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BU of 8wej by Molmil
Structure of human phagocyte NADPH oxidase in the activated state
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7D5 Fab heavy chain, 7D5 Fab light chain, ...
Authors:Chen, L, Liu, X.
Deposit date:2023-09-18
Release date:2024-01-24
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structure of human phagocyte NADPH oxidase in the activated state.
Nature, 627, 2024

223532

数据于2024-08-07公开中

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