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8RGJ
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BU of 8rgj by Molmil
Structure of maize adenosine kinase 2 (ADK2) in complex with AMP-PCP
Descriptor: ACETATE ION, Adenosine kinase, GLYCEROL, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A.
Deposit date:2023-12-13
Release date:2025-01-01
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.359 Å)
Cite:A monomer-dimer switch modulates the activity of plant adenosine kinase.
J.Exp.Bot., 2025
8REQ
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BU of 8req by Molmil
Crystal structure of reduced ThyX-Y91F mutant
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, DI(HYDROXYETHYL)ETHER, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, ...
Authors:Pecqueur, L, Hamdane, D.
Deposit date:2023-12-12
Release date:2025-01-01
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Structural Plasticity of Flavin-Dependent Thymidylate Synthase Controlled by the Enzyme Redox State.
Biomolecules, 15, 2025
8RMZ
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BU of 8rmz by Molmil
Apoform of spermine/spermidine acetyl transferase (AtSSAT) from A. thaliana
Descriptor: 1,2-ETHANEDIOL, GCN5-related N-acetyltransferase 8, SULFATE ION
Authors:Morera, S, Briozzo, P.
Deposit date:2024-01-09
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.739 Å)
Cite:Not defined yet, more later
To Be Published
8RPA
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BU of 8rpa by Molmil
Crystal structure of Zea mays adenosine kinase 3 (ZmADK3) in complex with AP5A
Descriptor: 1,2-ETHANEDIOL, Adenosine kinase, BIS(ADENOSINE)-5'-PENTAPHOSPHATE, ...
Authors:Morera, S, Kopecny, D, Vigouroux, A.
Deposit date:2024-01-13
Release date:2025-01-29
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (2.261 Å)
Cite:A monomer-dimer switch modulates the activity of plant adenosine kinase.
J.Exp.Bot., 2025
8JJS
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BU of 8jjs by Molmil
Human K-Ras G12D (GDP-bound) in complex with cyclic peptide inhibitor AP10343
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Isoform 2B of GTPase KRas, MAA-ILE-SAR-SAR-7T2-SAR-IAE-LEU-MEA-MLE-7TK, ...
Authors:Irie, M, Fukami, T.A, Tanada, M, Ohta, A, Torizawa, T.
Deposit date:2023-05-31
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.534 Å)
Cite:Development of Orally Bioavailable Peptides Targeting an Intracellular Protein: From a Hit to a Clinical KRAS Inhibitor.
J.Am.Chem.Soc., 145, 2023
8SMU
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BU of 8smu by Molmil
Integral fusion of the HtaA CR2 domain from Corynebacterium diphtheriae within EGFP
Descriptor: CHLORIDE ION, GLYCEROL, HtaACR2 integral fusion within enhanced green fluorescent protein, ...
Authors:Mahoney, B.J, Cascio, D, Clubb, R.T.
Deposit date:2023-04-26
Release date:2023-09-27
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Development and atomic structure of a new fluorescence-based sensor to probe heme transfer in bacterial pathogens.
J.Inorg.Biochem., 249, 2023
8SC8
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BU of 8sc8 by Molmil
Structure of PI3KG in complex with MTX-531
Descriptor: N-[(5P)-2-chloro-5-(4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)pyridin-3-yl]methanesulfonamide, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (2.687 Å)
Cite:A first-in-class selective inhibitor of EGFR and PI3K offers a single-molecule approach to targeting adaptive resistance.
Nat Cancer, 5, 2024
8SC7
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BU of 8sc7 by Molmil
Structure of EGFR in complex with MTX-531
Descriptor: CHLORIDE ION, Epidermal growth factor receptor, GLYCEROL, ...
Authors:Whitehead, C.E, Leopold, J.
Deposit date:2023-04-05
Release date:2024-06-12
Last modified:2024-12-25
Method:X-RAY DIFFRACTION (1.984 Å)
Cite:A first-in-class selective inhibitor of EGFR and PI3K offers a single-molecule approach to targeting adaptive resistance.
Nat Cancer, 5, 2024
8OTM
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BU of 8otm by Molmil
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
Descriptor: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ...
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OTN
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BU of 8otn by Molmil
structure of InhA from mycobacterium tuberculosis in complex with inhibitor 7-((1-(3-Hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-methyl-2H-chromen-2-one
Descriptor: 4-methyl-7-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methoxy]chromen-2-one, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.962 Å)
Cite:Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8OGI
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BU of 8ogi by Molmil
Structure of native human eosinophil peroxidase
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pfanzagl, V, Obinger, C.
Deposit date:2023-03-20
Release date:2024-01-24
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.547 Å)
Cite:Posttranslational modification and heme cavity architecture of human eosinophil peroxidase-insights from first crystal structure and biochemical characterization.
J.Biol.Chem., 299, 2023
8OTL
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BU of 8otl by Molmil
structure of InhA from Mycobacterium tuberculosis in complex with 5-(((4-(2-hydroxyphenoxy)benzyl)(octyl)amino)methyl)-2-phenoxyphenol
Descriptor: 1,2-ETHANEDIOL, 5-[[octyl-[[4-(2-oxidanylphenoxy)phenyl]methyl]amino]methyl]-2-phenoxy-phenol, ACETATE ION, ...
Authors:Tamhaev, R, Maveyraud, L, Chebaiki, M, Lherbet, C, Mourey, L.
Deposit date:2023-04-21
Release date:2024-01-24
Method:X-RAY DIFFRACTION (2.108 Å)
Cite:Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.
Bioorg.Chem., 143, 2023
8TXA
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BU of 8txa by Molmil
Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
Descriptor: tRNA (guanine-N(1)-)-methyltransferase
Authors:Balsamo, A, Bruno, C, Edele, C, Fabian, T, Jannotta, R, Lee, R, Schryver, D, Warsaw, J, Warsaw, L, Stojanoff, V, Battaile, K, Perez, A, Bolen, R.
Deposit date:2023-08-23
Release date:2024-04-10
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Apo Structure of (N1G37) tRNA Methyltransferase from Mycobacterium marinum
To Be Published
8PE9
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BU of 8pe9 by Molmil
Complex between DDR1 DS-like domain and PRTH-101 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Liu, J, Chiang, H, Xiong, W, Laurent, V, Griffiths, S.C, Duelfer, J, Deng, H, Sun, X, Yin, Y.W, Li, W, Audoly, L.P, An, Z, Schuerpf, T, Li, R, Zhang, N.
Deposit date:2023-06-13
Release date:2023-06-28
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.152 Å)
Cite:A highly selective humanized DDR1 mAb reverses immune exclusion by disrupting collagen fiber alignment in breast cancer.
J Immunother Cancer, 11, 2023
8Z0K
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BU of 8z0k by Molmil
Cryo-EM structure of Cas8-HNH system at full R-loop state
Descriptor: DNA (37-MER), DNA (5'-D(P*GP*TP*GP*CP*GP*GP*A)-3'), HNH endonuclease, ...
Authors:Zhang, H, Zhu, H, Li, X, Liu, Y.
Deposit date:2024-04-09
Release date:2024-10-02
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (2.51 Å)
Cite:Structural basis for the type I-F Cas8-HNH system.
Embo J., 43, 2024
6LO8
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BU of 6lo8 by Molmil
Cryo-EM structure of the TIM22 complex from yeast
Descriptor: Mitochondrial import inner membrane translocase subunit TIM10, Mitochondrial import inner membrane translocase subunit TIM12, Mitochondrial import inner membrane translocase subunit TIM18, ...
Authors:Zhang, Y, Zhou, X, Wu, X, Li, L.
Deposit date:2020-01-04
Release date:2020-09-30
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.83 Å)
Cite:Structure of the mitochondrial TIM22 complex from yeast.
Cell Res., 31, 2021
6LM3
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BU of 6lm3 by Molmil
Neutralization mechanism of a monoclonal antibody targeting a porcine circovirus type 2 Cap protein conformational epitope
Descriptor: Capsid protein
Authors:Sun, Z, Huang, L, Xia, D, Wei, Y, Sun, E, Zhu, H, Bian, H, Wu, H, Feng, L, Wang, J, Liu, C.
Deposit date:2019-12-24
Release date:2020-02-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Neutralization Mechanism of a Monoclonal Antibody Targeting a Porcine Circovirus Type 2 Cap Protein Conformational Epitope.
J.Virol., 94, 2020
6M54
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BU of 6m54 by Molmil
Human apo ferritin frozen on TEM grid with Amorphous nickel titanium alloy supporting film
Descriptor: FE (II) ION, Ferritin heavy chain
Authors:Huang, X, Zhang, L, Wen, Z, Chen, H, Li, S, Ji, G, Yin, C, Sun, F.
Deposit date:2020-03-09
Release date:2020-05-13
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Amorphous nickel titanium alloy film: A new choice for cryo electron microscopy sample preparation.
Prog.Biophys.Mol.Biol., 156, 2020
7QK4
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BU of 7qk4 by Molmil
EED in complex with PRC2 allosteric inhibitor compound 22 (MAK683)
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-[(5-fluoranyl-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.602 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJU
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BU of 7qju by Molmil
EED in complex with PRC2 allosteric inhibitor compound 7
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-4-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-17
Release date:2022-04-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
7QJG
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BU of 7qjg by Molmil
EED in complex with PRC2 allosteric inhibitor compound 6
Descriptor: CHLORIDE ION, Histone-lysine N-methyltransferase EZH2, N-(2,3-dihydro-1-benzofuran-7-ylmethyl)-8-[4-[(dimethylamino)methyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine, ...
Authors:Zhao, K, Zhao, M, Luo, X, Zhang, H, Scheufler, C.
Deposit date:2021-12-16
Release date:2022-04-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of the Clinical Candidate MAK683: An EED-Directed, Allosteric, and Selective PRC2 Inhibitor for the Treatment of Advanced Malignancies.
J.Med.Chem., 65, 2022
6NIY
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BU of 6niy by Molmil
A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex
Descriptor: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M.
Deposit date:2019-01-02
Release date:2019-01-23
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:The Molecular Control of Calcitonin Receptor Signaling.
Acs Pharmacol Transl Sci, 2, 2019
7QZR
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BU of 7qzr by Molmil
Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Pfanzagl, V, Brito, J.A.
Deposit date:2022-01-31
Release date:2022-10-26
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
J.Biol.Chem., 298, 2022
6NZ0
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BU of 6nz0 by Molmil
Cryo-EM structure of AAV-2 in complex with AAVR PKD domains 1 and 2
Descriptor: Capsid protein VP1, Dyslexia-associated protein KIAA0319-like protein, MAGNESIUM ION
Authors:Meyer, N.L, Xie, Q, Davulcu, O, Yoshioka, C, Chapman, M.S.
Deposit date:2019-02-12
Release date:2019-06-12
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure of the gene therapy vector, adeno-associated virus with its cell receptor, AAVR.
Elife, 8, 2019
6ODM
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BU of 6odm by Molmil
Herpes simplex virus type 1 (HSV-1) portal vertex-adjacent capsid/CATC, asymmetric unit
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Liu, Y.T, Jih, J, Dai, X.H, Bi, G.Q, Zhou, Z.H.
Deposit date:2019-03-26
Release date:2019-06-19
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Cryo-EM structures of herpes simplex virus type 1 portal vertex and packaged genome.
Nature, 570, 2019

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數據於2025-07-09公開中

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