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8DDS
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BU of 8dds by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDT
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BU of 8ddt by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DC8
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BU of 8dc8 by Molmil
Crystal structure of p53 Y220C covalently bound to azaindole KG13
Descriptor: 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form, Cellular tumor antigen p53, ...
Authors:Guiley, K.Z, Shokat, K.M.
Deposit date:2022-06-15
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.7200973 Å)
Cite:A Small Molecule Reacts with the p53 Somatic Mutant Y220C to Rescue Wild-type Thermal Stability.
Cancer Discov, 13, 2023
8DDR
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BU of 8ddr by Molmil
cryo-EM structure of TRPM3 ion channel in the absence of PIP2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-18
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDX
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BU of 8ddx by Molmil
cryo-EM structure of TRPM3 ion channel in complex with Gbg in the presence of PIP2, tethered by ALFA-nanobody
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DDV
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BU of 8ddv by Molmil
Cryo-EM structure of TRPM3 ion channel in the presence of PIP2, state4
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-06-19
Release date:2022-11-02
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8D1Y
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BU of 8d1y by Molmil
Crystal structure of Plasmodium falciparum GRP78 in complex with Trans-Zeatin Riboside
Descriptor: Chaperone DnaK, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, SULFATE ION
Authors:Mrozek, A, Park, H.W.
Deposit date:2022-05-27
Release date:2023-05-31
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A non-traditional crystal-based compound screening method targeting the ATP binding site of Plasmodium falciparum GRP78 for identification of novel nucleoside analogues.
Front Mol Biosci, 9, 2022
8E43
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BU of 8e43 by Molmil
E. coli 50S ribosome bound to compound streptogramin A analog 3336
Descriptor: (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate, 23S ribosomal RNA, 50S ribosomal protein L13, ...
Authors:Pellegrino, J, Lee, D.J, Seiple, I.B, Fraser, J.S.
Deposit date:2022-08-17
Release date:2023-06-28
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Streptogramin A analogs
To Be Published
8ED7
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BU of 8ed7 by Molmil
cryo-EM structure of TRPM3 ion channel in apo state
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, Transient receptor potential cation channel, subfamily M, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8ED8
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BU of 8ed8 by Molmil
cryo-EM structure of TRPM3 ion channel in the presence of PIP2 and PregS, state 1
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-02
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8ED9
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BU of 8ed9 by Molmil
cryo-EM structure of TRPM3 ion channel in the presence with PIP2 and PregS, state 2
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE, SODIUM ION, ...
Authors:Zhao, C, MacKinnon, R.
Deposit date:2022-09-03
Release date:2022-11-09
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural and functional analyses of a GPCR-inhibited ion channel TRPM3.
Neuron, 111, 2023
8DL3
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BU of 8dl3 by Molmil
Crystal structure of the human queuine salvage enzyme DUF2419, complexed with queuine
Descriptor: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one, Queuosine salvage protein
Authors:Hung, S.-H, Swairjo, M.A.
Deposit date:2022-07-06
Release date:2022-12-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis of Qng1-mediated salvage of the micronutrient queuine from queuosine-5'-monophosphate as the biological substrate.
Nucleic Acids Res., 51, 2023
8DSO
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BU of 8dso by Molmil
Structure of cIAP1, BTK and BCCov
Descriptor: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide bound form, Baculoviral IAP repeat-containing protein 2, Tyrosine-protein kinase BTK, ...
Authors:Schiemer, J.S, Calabrese, M.F.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.334 Å)
Cite:A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
8DSF
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BU of 8dsf by Molmil
Structure of cIAP1 with BCCov
Descriptor: (4S)-4-[2-(2-{4-[(2E)-4-{(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl}-4-oxobut-2-en-1-yl]piperazin-1-yl}ethoxy)acetamido]-1-{(2S)-2-cyclohexyl-2-[(N-methyl-L-alanyl)amino]acetyl}-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-L-prolinamide unbound form, Baculoviral IAP repeat-containing protein 2, ZINC ION
Authors:Schiemer, J.S, Calabrese, M.F.
Deposit date:2022-07-22
Release date:2023-03-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A covalent BTK ternary complex compatible with targeted protein degradation.
Nat Commun, 14, 2023
5GWO
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BU of 5gwo by Molmil
Crystal structure of RCAR3:PP2C S265F/I267M with (+)-ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S, Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.816 Å)
Cite:Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5GTY
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BU of 5gty by Molmil
Crystal structure of EGFR 696-1022 T790M in complex with LXX-6-26
Descriptor: 1,2-ETHANEDIOL, 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(6-methylpyridin-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one, Epidermal growth factor receptor
Authors:Yan, X.E, Yun, C.H.
Deposit date:2016-08-23
Release date:2017-09-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery and characterization of a novel irreversible EGFR mutants selective and potent kinase inhibitor CHMFL-EGFR-26 with a distinct binding mode.
Oncotarget, 8, 2017
5GWP
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BU of 5gwp by Molmil
Crystal structure of RCAR3:PP2C wild-type with (+)-ABA
Descriptor: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, ABA receptor RCAR3, MAGNESIUM ION, ...
Authors:Han, S, Lee, S.
Deposit date:2016-09-12
Release date:2017-09-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.577 Å)
Cite:Modulation of ABA Signaling by Altering VxG Phi L Motif of PP2Cs in Oryza sativa.
Mol Plant, 10, 2017
5GZZ
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BU of 5gzz by Molmil
Crystal Structure of FIN219-SjGST complex with JA
Descriptor: GLUTATHIONE, Glutathione S-transferase class-mu 26 kDa isozyme, Jasmonic acid-amido synthetase JAR1, ...
Authors:Chen, C.Y, Cheng, Y.S.
Deposit date:2016-10-02
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.386 Å)
Cite:Structural basis of jasmonate-amido synthetase FIN219 in complex with glutathione S-transferase FIP1 during the JA signal regulation
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5HDR
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BU of 5hdr by Molmil
Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
Descriptor: Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2016-01-05
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
To Be Published
5HG5
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BU of 5hg5 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide
Descriptor: Epidermal growth factor receptor, GLYCEROL, N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}propanamide, ...
Authors:Gajiwala, K.S.
Deposit date:2016-01-08
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016
5HWG
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BU of 5hwg by Molmil
Structure of a cysteine hydrolase with a negative substrate
Descriptor: (1S,4R)-2-azabicyclo[2.2.1]hept-5-en-3-one, Isochorismatase
Authors:Feng, Y, Gao, S.
Deposit date:2016-01-29
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structure of a cysteine hydrolase
To Be Published
5IKH
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BU of 5ikh by Molmil
Tobacco 5-epi-aristolochene synthase M4 mutant with (-)-premnaspirodiene
Descriptor: (2R,5S,10R)-6,10-dimethyl-2-(prop-1-en-2-yl)spiro[4.5]dec-6-ene, 5-epi-aristolochene synthase, MAGNESIUM ION
Authors:Koo, H.J, O'Maille, P.E, Louie, G.V, Bowman, M, Noel, J.P.
Deposit date:2016-03-03
Release date:2016-10-05
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biosynthetic potential of sesquiterpene synthases: product profiles of Egyptian Henbane premnaspirodiene synthase and related mutants.
J.Antibiot., 69, 2016
5ICJ
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BU of 5icj by Molmil
Crystal structure of the Mycobacterium tuberculosis transcriptional repressor EthR2 in complex with BDM41420
Descriptor: 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein
Authors:Wohlkonig, A, Remaut, H, Tanina, A, Meyer, F, Willand, N, Baulard, A.R, Wintjens, R.
Deposit date:2016-02-23
Release date:2017-04-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Reversion of antibiotic resistance in Mycobacterium tuberculosis by spiroisoxazoline SMARt-420.
Science, 355, 2017
5HWH
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BU of 5hwh by Molmil
Structure of a cysteine hydrolase with a positive substrate
Descriptor: (1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one, Isochorismatase
Authors:Feng, Y, Gao, S.
Deposit date:2016-01-29
Release date:2017-02-01
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Structure of a cysteine hydrolase
To Be Published
5HG8
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BU of 5hg8 by Molmil
EGFR (L858R, T790M, V948R) in complex with N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]prop-2-enamide
Descriptor: Epidermal growth factor receptor, GLYCEROL, N-[3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)phenyl]propanamide, ...
Authors:Gajiwala, K.S.
Deposit date:2016-01-08
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants.
J.Med.Chem., 59, 2016

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PDB entries from 2024-09-18

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