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4QTA
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BU of 4qta by Molmil
Structure of human ERK2 in complex with SCH772984 revealing a novel inhibitor-induced binding pocket
Descriptor: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide, 1,2-ETHANEDIOL, Mitogen-activated protein kinase 1, ...
Authors:Chaikuad, A, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2014-07-07
Release date:2014-07-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A unique inhibitor binding site in ERK1/2 is associated with slow binding kinetics.
Nat.Chem.Biol., 10, 2014
6UFP
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BU of 6ufp by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate and three cysteines (Cys46, Cys470, Cys638) modified to S,S-(2-HYDROXYETHYL)THIOCYSTEINE
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Campbell, A.C, Tanner, J.J.
Deposit date:2019-09-24
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
6ULG
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BU of 6ulg by Molmil
Cryo-EM structure of the FLCN-FNIP2-Rag-Ragulator complex
Descriptor: Folliculin, Folliculin-interacting protein 2, GUANOSINE-5'-DIPHOSPHATE, ...
Authors:Shen, K, Rogala, K.B, Yu, Z.H, Sabatini, D.M.
Deposit date:2019-10-08
Release date:2019-11-20
Last modified:2019-12-11
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Cryo-EM Structure of the Human FLCN-FNIP2-Rag-Ragulator Complex.
Cell, 179, 2019
5K5F
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BU of 5k5f by Molmil
NMR structure of the HLTF HIRAN domain
Descriptor: Helicase-like transcription factor
Authors:Bezsonova, I, Neculai, D, Korzhnev, D, Weigelt, J, Bountra, C, Edwards, A, Arrowsmith, C, Dhe-Paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2016-05-23
Release date:2016-06-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structure of the HLTF HIRAN domain
To Be Published
6V80
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BU of 6v80 by Molmil
Crystal structure of human CD1d presenting alpha-Galactosylceramide in complex with NKT12 TCR and VHH nanobody 1D12
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
8JSG
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BU of 8jsg by Molmil
Structure of the 30S-IF3 complex from Escherichia coli
Descriptor: 16S ribosomal RNA, 30S ribosomal protein S16, Small ribosomal subunit protein bS18, ...
Authors:Uday, A.B, Mishra, R.K, Hussain, T.
Deposit date:2023-06-20
Release date:2024-02-21
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Initiation factor 3 bound to the 30S ribosomal subunit in an initial step of translation.
Proteins, 2023
4RW4
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BU of 4rw4 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Descriptor: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.674 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
6V7Y
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BU of 6v7y by Molmil
Human CD1d presenting alpha-Galactosylceramide in complex with VHH nanobody 1D5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antigen-presenting glycoprotein CD1d, ...
Authors:Shahine, A, Rossjohn, J.
Deposit date:2019-12-10
Release date:2020-09-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A single-domain bispecific antibody targeting CD1d and the NKT T-cell receptor induces a potent antitumor response.
Nat Cancer, 2020
4RW8
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BU of 4rw8 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor'
Descriptor: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.878 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
5FFX
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BU of 5ffx by Molmil
S. aureus MepR G34K Mutant
Descriptor: GLYCEROL, MarR family regulatory protein, SULFATE ION
Authors:Newman, C.E, Birukou, I, Brennan, R.G.
Deposit date:2015-12-19
Release date:2016-12-21
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:S. aureus MepR G34K Mutant
To Be Published
7NAU
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BU of 7nau by Molmil
Bacterial 30S ribosomal subunit assembly complex state C (Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAT
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BU of 7nat by Molmil
Bacterial 30S ribosomal subunit assembly complex state A (Consensus refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
7NAX
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BU of 7nax by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state I (Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.96 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
5HOB
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BU of 5hob by Molmil
p73 homo-tetramerization domain mutant I
Descriptor: MAGNESIUM ION, Tumor protein p73
Authors:Coutandin, D, Krojer, T, Salah, E, Mathea, S, Knapp, S, Dotsch, V.
Deposit date:2016-01-19
Release date:2016-10-19
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.220013 Å)
Cite:Structural basis of p63/p73 hetero-tetramerization
To Be Published
7NAR
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BU of 7nar by Molmil
Complete Bacterial 30S ribosomal subunit assembly complex state F (+RsgA)(Consensus Refinement)
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.
Deposit date:2021-01-25
Release date:2021-12-08
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit.
Sci Adv, 7, 2021
4RW6
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BU of 4rw6 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor
Descriptor: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.631 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
8K4E
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BU of 8k4e by Molmil
Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex-II
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Ramachandran, R, Afsar, M, Shukla, A.
Deposit date:2023-07-18
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex-II
To Be Published
8K3O
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BU of 8k3o by Molmil
Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex I
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ...
Authors:Afsar, M, Shukla, A, Ramachandran, R.
Deposit date:2023-07-16
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Cryo-EM structure of 30S ribosome with cleaved AP-mRNA bound complex I
To Be Published
4RW9
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BU of 4rw9 by Molmil
Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor
Descriptor: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile, Reverse transcriptase/ribonuclease H, p51 subunit, ...
Authors:Frey, K.M, Anderson, K.S.
Deposit date:2014-12-01
Release date:2015-04-29
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.986 Å)
Cite:Structure-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
J.Med.Chem., 58, 2015
6VZ9
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BU of 6vz9 by Molmil
Structure of proline utilization A with the FAD covalently modified by L-thiazolidine-2-carboxylate
Descriptor: (2S)-1,3-thiazolidine-2-carboxylic acid, Bifunctional protein PutA, DI(HYDROXYETHYL)ETHER, ...
Authors:Campbell, A.C, Tanner, J.J.
Deposit date:2020-02-28
Release date:2020-03-18
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Covalent Modification of the Flavin in Proline Dehydrogenase by Thiazolidine-2-Carboxylate.
Acs Chem.Biol., 15, 2020
8DHB
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BU of 8dhb by Molmil
Active FLCN GAP complex
Descriptor: BERYLLIUM TRIFLUORIDE ION, Folliculin, Folliculin-interacting protein 2, ...
Authors:Jansen, R.M, Hurley, J.H.
Deposit date:2022-06-25
Release date:2022-09-28
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Structural basis for FLCN RagC GAP activation in MiT-TFE substrate-selective mTORC1 regulation.
Sci Adv, 8, 2022
6W7N
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BU of 6w7n by Molmil
30S-Inactive-low-Mg2+ Class A
Descriptor: 16S rRNA, 30S ribosomal protein S10, 30S ribosomal protein S12, ...
Authors:Jahagirdar, D, Jha, V, Basu, B, Gomez-Blanco, J, Vargas, J, Ortega, J.
Deposit date:2020-03-19
Release date:2020-10-21
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Alternative conformations and motions adopted by 30S ribosomal subunits visualized by cryo-electron microscopy.
Rna, 26, 2020
8VEX
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BU of 8vex by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 28
Descriptor: 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VEY
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BU of 8vey by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and TNG908
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024
8VET
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BU of 8vet by Molmil
Crystal structure of PRMT5:MEP50 in complex with MTA and oxamide compound 1
Descriptor: 1,2-ETHANEDIOL, 5'-DEOXY-5'-METHYLTHIOADENOSINE, CHLORIDE ION, ...
Authors:Whittington, D.A.
Deposit date:2023-12-20
Release date:2024-04-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Discovery of TNG908: A Selective, Brain Penetrant, MTA-Cooperative PRMT5 Inhibitor That Is Synthetically Lethal with MTAP -Deleted Cancers.
J.Med.Chem., 67, 2024

224931

數據於2024-09-11公開中

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