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8V8V
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BU of 8v8v by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 7).
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, 2-[[(1~{R})-1-(7-methyl-4-oxidanylidene-2-piperidin-1-yl-3~{H}-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8U
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BU of 8v8u by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 12).
Descriptor: (2S)-N~1~-{4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl}pyrrolidine-1,2-dicarboxamide, (3S)-9-[(1R)-1-(2-carboxyanilino)ethyl]-3-cyano-7-methyl-4-oxo-2-(piperidin-1-yl)-3,4-dihydropyrido[1,2-a]pyrimidin-5-ium, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-06
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.93 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8XBI
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BU of 8xbi by Molmil
Human GPR34 -Gi complex bound to M1, receptor focused
Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, Probable G-protein coupled receptor 34
Authors:Kawahara, R, Shihoya, W, Nureki, O.
Deposit date:2023-12-06
Release date:2023-12-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.06 Å)
Cite:Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
8XBH
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BU of 8xbh by Molmil
Human GPR34 -Gi complex bound to M1
Descriptor: (2~{S})-2-azanyl-3-[[(2~{R})-1-ethoxy-3-[3-[2-[(3-phenoxyphenyl)methoxy]phenyl]propanoyloxy]propan-2-yl]oxy-oxidanyl-phosphoryl]oxy-propanoic acid, 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:Kawahara, R, Shihoya, W, Nureki, O.
Deposit date:2023-12-06
Release date:2023-12-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Structural basis for lysophosphatidylserine recognition by GPR34.
Nat Commun, 15, 2024
8V8J
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BU of 8v8j by Molmil
PI3Ka H1047R co-crystal structure with inhibitors in two cryptic pockets (compounds 4 and 5).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8RC0
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BU of 8rc0 by Molmil
Structure of the human 20S U5 snRNP
Descriptor: 116 kDa U5 small nuclear ribonucleoprotein component, CD2 antigen cytoplasmic tail-binding protein 2, GUANOSINE-5'-TRIPHOSPHATE, ...
Authors:Schneider, S, Galej, W.P.
Deposit date:2023-12-05
Release date:2024-03-27
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure of the human 20S U5 snRNP.
Nat.Struct.Mol.Biol., 31, 2024
8V8H
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BU of 8v8h by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket near H1047R (compound 4).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, 2-({(1R)-1-[2-(4,4-dimethylpiperidin-1-yl)-3,6-dimethyl-4-oxo-4H-1-benzopyran-8-yl]ethyl}amino)benzoic acid, Phosphatidylinositol 3-kinase regulatory subunit alpha, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.58 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8V8I
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BU of 8v8i by Molmil
PI3Ka H1047R co-crystal structure with inhibitor in cryptic pocket (compound 5).
Descriptor: (2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide, CHLORIDE ION, N-{(3S)-3-(2-methylphenyl)-6-[(oxetan-3-yl)amino]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}-1-benzothiophene-3-carboxamide, ...
Authors:Gunn, R.J, Lawson, J.D.
Deposit date:2023-12-05
Release date:2024-03-20
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Discovery of Pyridopyrimidinones that Selectively Inhibit the H1047R PI3K alpha Mutant Protein.
J.Med.Chem., 67, 2024
8RC1
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BU of 8rc1 by Molmil
MAP7 MTBD (microtubule binding domain) decorated microtubule protofilament
Descriptor: GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Bangera, M, Moores, C.A.
Deposit date:2023-12-05
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:A structural and dynamic visualization of the interaction between MAP7 and microtubules.
Nat Commun, 15, 2024
8XAT
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BU of 8xat by Molmil
Crystal structure of AtARR1(RD-DBD)
Descriptor: Two-component response regulator ARR1
Authors:Li, J.X, Zhou, C.M, Zhang, P, Wang, J.W.
Deposit date:2023-12-05
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.205 Å)
Cite:The structure of B-ARR reveals the molecular basis of transcriptional activation by cytokinin.
Proc.Natl.Acad.Sci.USA, 121, 2024
8V84
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BU of 8v84 by Molmil
60S ribosome biogenesis intermediate (Dbp10 catalytic structure - Overall map)
Descriptor: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
Authors:Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P.
Deposit date:2023-12-04
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
8V87
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BU of 8v87 by Molmil
60S ribosome biogenesis intermediate (Dbp10 post-catalytic structure - Overall map)
Descriptor: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 25S ribosomal RNA, 27S pre-rRNA (guanosine(2922)-2'-O)-methyltransferase, ...
Authors:Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P.
Deposit date:2023-12-04
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
8V83
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BU of 8v83 by Molmil
60S ribosome biogenesis intermediate (Dbp10 pre-catalytic structure - Overall map)
Descriptor: 25S rRNA (cytosine(2870)-C(5))-methyltransferase, 60S ribosomal protein L13-A, 60S ribosomal protein L14-A, ...
Authors:Cruz, V.E, Weirich, C.S, Peddada, N, Erzberger, J.P.
Deposit date:2023-12-04
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.53 Å)
Cite:The DEAD-box ATPase Dbp10/DDX54 initiates peptidyl transferase center formation during 60S ribosome biogenesis.
Nat Commun, 15, 2024
8V6U
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BU of 8v6u by Molmil
5HT2AR-miniGq heterotrimer in complex with a novel agonist obtained from large scale docking
Descriptor: 4-{(3R)-1-[(1R)-1-(pyrimidin-2-yl)ethyl]piperidin-3-yl}phenol, 5-hydroxytryptamine receptor 2A, G protein alpha-subunit q (Gi2-mini-Gq chimera), ...
Authors:Gumpper, R.H, Wang, L, Kapolka, N, Skiniotis, G, Roth, B.L.
Deposit date:2023-12-03
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:AlphaFold2 structures guide prospective ligand discovery.
Science, 2024
8V6K
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BU of 8v6k by Molmil
Apo-state cryo-EM structure of human TRPV3 in cNW30 nanodiscs
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Nadezhdin, K.D, Neuberger, A, Sobolevsky, A.I.
Deposit date:2023-12-01
Release date:2024-04-17
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (2.46 Å)
Cite:TRPV3 activation by different agonists accompanied by lipid dissociation from the vanilloid site.
Sci Adv, 10, 2024
8RA3
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BU of 8ra3 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 462 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RAA
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BU of 8raa by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 1023 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA1
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BU of 8ra1 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 312 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RAD
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BU of 8rad by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 1235 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA9
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BU of 8ra9 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 907 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RAB
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BU of 8rab by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 1112 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA4
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BU of 8ra4 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 527 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA7
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BU of 8ra7 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 722 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA6
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BU of 8ra6 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 655 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024
8RA5
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BU of 8ra5 by Molmil
Multicopy-refined carboxymyoglobin photolysis time series at 101 mJ/cm2 laser fluence, 590 fs time delay
Descriptor: CARBON MONOXIDE, Myoglobin, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Barends, T, Schlichting, I.
Deposit date:2023-12-01
Release date:2024-01-31
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Influence of pump laser fluence on ultrafast myoglobin structural dynamics.
Nature, 626, 2024

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數據於2024-06-26公開中

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