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7U0Z
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BU of 7u0z by Molmil
High-resolution map of tau filament from progressive supranuclear palsy (PSP) case 1
Descriptor: Isoform Tau-E of Microtubule-associated protein tau
Authors:FItzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
7U14
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BU of 7u14 by Molmil
TMEM106B(120-254) singlet amyloid fibril from frontotemporal lobar degeneration with TDP-43 pathology (FTLD-TDP) type C (case 8)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Transmembrane protein 106B
Authors:Fitzpatrick, A.W.P, Stowell, M.H.B, Chang, A, Xiang, X, Wang, J, Lee, C, Arakhamia, T, Simjanoska, M, Wang, C, Carlomagno, Y, Zhang, G, Dhingra, S, Thierry, M, Perneel, J, Heeman, B, Forgrave, L.M, DeTure, M, DeMarco, M.L, Cook, C.N, Rademakers, R, Dickson, D, Petrucelli, L, Mackenzie, I.R.A.
Deposit date:2022-02-19
Release date:2022-03-23
Last modified:2022-04-27
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Homotypic fibrillization of TMEM106B across diverse neurodegenerative diseases.
Cell, 185, 2022
8XD6
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BU of 8xd6 by Molmil
Cryo-EM structure of Glutamate dehydrogenase from Thermococcus profundus in complex with NADPH, AKG and NH4 in the steady stage of reaction
Descriptor: 2-OXOGLUTARIC ACID, AMMONIUM ION, Glutamate dehydrogenase, ...
Authors:Wakabayashi, T, Oide, M, Nakasako, M.
Deposit date:2023-12-10
Release date:2023-12-27
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:CryoEM-sampling of metastable conformations appearing in cofactor-ligand association and catalysis of glutamate dehydrogenase.
Sci Rep, 14, 2024
8W7D
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BU of 8w7d by Molmil
Crystal structure of EcPPAT-FR901483 complex
Descriptor: Amidophosphoribosyltransferase, [(1S,3S,6S,7S,8R,9S)-6-[(4-methoxyphenyl)methyl]-3-(methylamino)-7-oxidanyl-5-azatricyclo[6.3.1.0^1,5]dodecan-9-yl] dihydrogen phosphate
Authors:Hara, K, Hashimoto, H, Nakahara, M, Sato, M, Watanabe, K.
Deposit date:2023-08-30
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Uncommon Arrangement of Self-resistance Allows Biosynthesis of de novo Purine Biosynthesis Inhibitor that Acts as an Immunosuppressor.
J.Am.Chem.Soc., 145, 2023
8X7T
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BU of 8x7t by Molmil
MCM in the Apo state.
Descriptor: mini-chromosome maintenance complex 3
Authors:Ma, J, Yi, G, Ye, M, MacGregor-Chatwin, C, Sheng, Y, Lu, Y, Li, M, Gilbert, R.J.C, Zhang, P.
Deposit date:2023-11-25
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:MCM in the Apo state
To Be Published
6M1B
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BU of 6m1b by Molmil
A new V27M variant of beta 2 microglobulin induced amyloidosis in a patient with long-term hemodialysis
Descriptor: Beta-2-microglobulin, CALCIUM ION, GLYCEROL, ...
Authors:So, M, Nakahara, S, Nakaniwa, T, Tanaka, H, Kurisu, G, Goto, Y.
Deposit date:2020-02-25
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Dialysis-related amyloidosis associated with a novel beta 2 -microglobulin variant.
Amyloid, 28, 2021
8UDU
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BU of 8udu by Molmil
The X-RAY co-crystal structure of human FGFR3 and Compound 17
Descriptor: 3-[(6-chloro-1-cyclopropyl-1H-benzimidazol-5-yl)ethynyl]-1-[(3S,5S)-5-(methoxymethyl)-1-(prop-2-enoyl)pyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, CHLORIDE ION, Fibroblast growth factor receptor 3
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.737 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
8VXE
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BU of 8vxe by Molmil
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
Descriptor: (4M)-4-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridine, Mitogen-activated protein kinase 14
Authors:Blaesse, M, Steinbacher, S, Shaffer, P.L, Sharma, S, Thompson, A.A.
Deposit date:2024-02-04
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure-Based Optimization of Selective and Brain Penetrant CK1 delta Inhibitors for the Treatment of Circadian Disruptions.
Acs Med.Chem.Lett., 15, 2024
9FS7
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BU of 9fs7 by Molmil
Coxsackievirus A16 3C protease in C2 2 21 spacegroup
Descriptor: Genome polyprotein
Authors:Fairhead, M, Lithgo, R, MacLean, M, Bowesman-Jones, H, Aschenbrenner, J.C, Balcomb, B.H, Capkin, E, Chandran, A.V, Godoy, A.S, Marples, P.G, Fearon, D, von Delft, F, Koekemoer, L.
Deposit date:2024-06-20
Release date:2024-07-10
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Coxsackievirus A16 3C protease in C2 2 21 spacegroup
To Be Published
8UDT
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BU of 8udt by Molmil
The X-RAY co-crystal structure of human FGFR3 and KIN-3248
Descriptor: 3-[(1-cyclopropyl-4,6-difluoro-1H-benzimidazol-5-yl)ethynyl]-1-[(3R,5R)-5-(methoxymethyl)-1-propanoylpyrrolidin-3-yl]-5-(methylamino)-1H-pyrazole-4-carboxamide, D-MALATE, Fibroblast growth factor receptor 3
Authors:Tyhonas, J.S, Arnold, L.D, Cox, J, Franovic, A, Gardiner, E, Grandinetti, K, Kania, R, Kanouni, T, Lardy, M, Li, C, Martin, E.S, Miller, N, Mohan, A, Murphy, E.A, Perez, M, Soroceanu, L, Timple, N, Uryu, S, Womble, S, Kaldor, S.W.
Deposit date:2023-09-29
Release date:2024-02-07
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.829 Å)
Cite:Discovery of KIN-3248, An Irreversible, Next Generation FGFR Inhibitor for the Treatment of Advanced Tumors Harboring FGFR2 and/or FGFR3 Gene Alterations.
J.Med.Chem., 67, 2024
8X7U
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BU of 8x7u by Molmil
MCM in complex with dsDNA in presence of ATP.
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, mini-chromosome maintenance complex 3
Authors:Ma, J, Yi, G, Ye, M, MacGregor-Chatwin, C, Sheng, Y, Lu, Y, Li, M, Gilbert, R.J.C, Zhang, P.
Deposit date:2023-11-25
Release date:2024-01-17
Method:ELECTRON MICROSCOPY (3.57 Å)
Cite:MCM in complex with dsDNA in presence of ATP
To Be Published
8VDT
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BU of 8vdt by Molmil
DNA Ligase 1 with nick DNA 3'rA:T
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*TP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*A)-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8VZL
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BU of 8vzl by Molmil
DNA Ligase 1 captured with pre-step 3 ligation at the rG:C nicksite
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2024-02-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8X36
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BU of 8x36 by Molmil
Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form B)
Descriptor: 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, ...
Authors:Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S.
Deposit date:2023-11-12
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Chembiochem, 25, 2024
8VZM
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BU of 8vzm by Molmil
DNA Ligase 1 captured with pre-step 3 ligation at the rA:T nicksite
Descriptor: ADENOSINE MONOPHOSPHATE, DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA (5'-D(P*GP*TP*CP*GP*GP*AP*C)-3'), ...
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2024-02-11
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8X35
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BU of 8x35 by Molmil
Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP, IPP, and magnesium ion (form A)
Descriptor: 1,2-ETHANEDIOL, 3-METHYLBUT-3-ENYL TRIHYDROGEN DIPHOSPHATE, DI(HYDROXYETHYL)ETHER, ...
Authors:Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S.
Deposit date:2023-11-12
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Chembiochem, 25, 2024
8X37
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BU of 8x37 by Molmil
Neryl diphosphate synthase from Solanum lycopersicum complexed with DMSAPP
Descriptor: DIMETHYLALLYL S-THIOLODIPHOSPHATE, MAGNESIUM ION, Neryl-diphosphate synthase 1
Authors:Imaizumi, R, Matsuura, H, Yanai, T, Takeshita, K, Misawa, S, Yamaguchi, H, Sakai, N, Miyagi-Inoue, Y, Suenaga-Hiromori, M, Kataoka, K, Nakayama, T, Yamamoto, M, Takahashi, S, Yamashita, S.
Deposit date:2023-11-12
Release date:2024-02-07
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural-Functional Correlations between Unique N-terminal Region and C-terminal Conserved Motif in Short-chain cis-Prenyltransferase from Tomato.
Chembiochem, 25, 2024
9EZ8
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BU of 9ez8 by Molmil
Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase
Authors:Chee, M, Trapani, S, Hoh, F, Lai Kee Him, J, Yvon, M, Blanc, S, Bron, P.
Deposit date:2024-04-11
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Cryo-EM structure of the icosahedral lumazine synthase from Vicia faba.
To Be Published
9C61
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BU of 9c61 by Molmil
Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
Descriptor: (4R)-4-[4-(5-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-2-one, Non-specific serine/threonine protein kinase, UNKNOWN ATOM OR ION
Authors:Zeng, H, Dong, A, Kutera, M, Ilyassov, O, Seitova, A, Loppnau, P, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Halabelian, L.
Deposit date:2024-06-07
Release date:2024-07-03
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of the human LRRK2 WDR domain in complex with CACHE1193-26
To be published
8XJ0
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BU of 8xj0 by Molmil
Crystal structure of AmFab mutant - P40C/E165C (Light chain), G10C/P210C(Heavy chain)
Descriptor: Adalimumab Fab Heavy chain, Adalimumab Fab Light chain
Authors:Senda, M, Yoshikawa, M, Nakamura, H, Ohkuri, T, Senda, T.
Deposit date:2023-12-20
Release date:2024-02-14
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Stabilization of adalimumab Fab through the introduction of disulfide bonds between the variable and constant domains.
Biochem.Biophys.Res.Commun., 700, 2024
8YLA
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BU of 8yla by Molmil
Crystal structures of terpene synthases complexed with a substrate mimic
Descriptor: MAGNESIUM ION, N-benzyl-N,N-diethylethanaminium, PYROPHOSPHATE, ...
Authors:Xu, M, Ma, M.
Deposit date:2024-03-05
Release date:2024-04-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Structural Insights Into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Angew.Chem.Int.Ed.Engl., 63, 2024
8VDS
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BU of 8vds by Molmil
DNA Ligase 1 with nick DNA 3'rG:C
Descriptor: DNA (5'-D(*GP*TP*CP*CP*GP*AP*CP*CP*AP*CP*GP*CP*AP*TP*CP*AP*GP*C)-3'), DNA ligase 1, DNA/RNA (5'-D(*GP*CP*TP*GP*AP*TP*GP*CP*GP*T)-R(P*G)-D(P*GP*TP*CP*GP*GP*AP*C)-3')
Authors:KanalElamparithi, B, Gulkis, M, Caglayan, M.
Deposit date:2023-12-17
Release date:2024-05-22
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structures of LIG1 provide a mechanistic basis for understanding a lack of sugar discrimination against a ribonucleotide at the 3'-end of nick DNA.
J.Biol.Chem., 300, 2024
8YTN
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BU of 8ytn by Molmil
Single-chain Fv antibody of E11
Descriptor: GLYCEROL, Single-chain Fv antibody of E11
Authors:Yoshida, M, Hanazono, Y, Numoto, N, Ito, N, Oda, M.
Deposit date:2024-03-26
Release date:2024-07-03
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Affinity-matured antibody with a disulfide bond in H-CDR3 loop.
Arch.Biochem.Biophys., 758, 2024
8XZ2
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BU of 8xz2 by Molmil
The structural model of a homodimeric D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria
Descriptor: D-alanyl-D-alanine dipeptidase
Authors:Konuma, T, Takai, T, Tsuchiya, C, Nishida, M, Hashiba, M, Yamada, Y, Shirai, H, Motoda, Y, Nagadoi, A, Chikaishi, E, Akagi, K, Akashi, S, Yamazaki, T, Akutsu, H, Oe, A, Ikegami, T.
Deposit date:2024-01-20
Release date:2024-05-22
Method:SOLUTION NMR
Cite:Analysis of the homodimeric structure of a D-Ala-D-Ala metallopeptidase, VanX, from vancomycin-resistant bacteria.
Protein Sci., 33, 2024
8WUW
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BU of 8wuw by Molmil
Cryo-EM structure of H. thermophilus GroEL-GroES2 asymmetric football complex
Descriptor: Chaperonin GroEL, Co-chaperonin GroES, MAGNESIUM ION, ...
Authors:Liao, Z, Gopalasingam, C.C, Kameya, M, Gerle, C, Shigematsu, H, Ishii, M, Arakawa, T, Fushinobu, S.
Deposit date:2023-10-21
Release date:2024-03-27
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Structural insights into thermophilic chaperonin complexes.
Structure, 32, 2024

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PDB entries from 2024-07-17

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