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8BOM
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BU of 8bom by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 14
Descriptor: Ephrin type-A receptor 2, ~{N}-(3-methoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOH
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BU of 8boh by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 8
Descriptor: 4-methyl-~{N}-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOD
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BU of 8bod by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 20
Descriptor: Ephrin type-A receptor 2, ~{N}-[3,5-bis(chloranyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOI
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BU of 8boi by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 9
Descriptor: 4-methyl-~{N}-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOK
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BU of 8bok by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 11
Descriptor: Ephrin type-A receptor 2, ~{N}-(3,5-dimethoxyphenyl)-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOF
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BU of 8bof by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 12
Descriptor: 4-methyl-~{N}-(3-methylphenyl)-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide, Ephrin type-A receptor 2
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-03-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
8BOC
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BU of 8boc by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 19
Descriptor: Ephrin type-A receptor 2, ~{N}-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide
Authors:Linhard, V, Witt, K, Gande, S, Wollenhaupt, J, Lennartz, F, Weiss, M.S, Schwalbe, H.
Deposit date:2022-11-15
Release date:2023-11-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
6N6B
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BU of 6n6b by Molmil
The complex crystal structure of neuraminidase from A/Minnesota/11/2010 with B10 antibody.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, B10 antibody Heavy Chain Fab, B10 antibody Light Chain Fab, ...
Authors:Yang, H, Stevens, J.
Deposit date:2018-11-26
Release date:2019-07-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The neuraminidase of A(H3N2) influenza viruses circulating since 2016 is antigenically distinct from the A/Hong Kong/4801/2014 vaccine strain.
Nat Microbiol, 4, 2019
1ZPX
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BU of 1zpx by Molmil
NMR Structure of Mcol1-[13-33] from Hydra
Descriptor: mini-collagen
Authors:Milbradt, A.G, Boulegue, C, Moroder, L, Renner, C.
Deposit date:2005-05-18
Release date:2005-11-15
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:The Two Cysteine-rich Head Domains of Minicollagen from Hydra Nematocysts Differ in their Cystine Framework and Overall Fold Despite an Identical Cysteine Sequence Pattern.
J.Mol.Biol., 354, 2005
7O76
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BU of 7o76 by Molmil
Reversible supramolecular assembly of the anti-microbial peptide plectasin
Descriptor: DI(HYDROXYETHYL)ETHER, Fungal defensin plectasin
Authors:Pohl, C, Noergaard, N, Harris, P.
Deposit date:2021-04-13
Release date:2022-06-29
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.131 Å)
Cite:pH- and concentration-dependent supramolecular assembly of a fungal defensin plectasin variant into helical non-amyloid fibrils.
Nat Commun, 13, 2022
6Q1Z
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BU of 6q1z by Molmil
Crystal structure of human 1G04 Fab in complex with influenza virus neuraminidase from A/Hunan/02650/2016 (H7N9)
Descriptor: 1G04 Fab IgG1 heavy chain, 1G04 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2019-08-06
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.446 Å)
Cite:Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6Q23
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BU of 6q23 by Molmil
Crystal structure of human 1G01 Fab in complex with influenza virus neuraminidase from A/California/04/2009 (H1N1)
Descriptor: 1G01 Fab IgG1 heavy chain, 1G01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2019-08-06
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.27 Å)
Cite:Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6Q20
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BU of 6q20 by Molmil
Crystal structure of human 1E01 Fab in complex with influenza virus neuraminidase from A/Japan/305/1957 (H2N2)
Descriptor: 1E01 Fab IgG1 heavy chain, 1E01 Fab kappa light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhu, X, Wilson, I.A.
Deposit date:2019-08-06
Release date:2019-10-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Broadly protective human antibodies that target the active site of influenza virus neuraminidase.
Science, 366, 2019
6V4O
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BU of 6v4o by Molmil
Structure of human 2E01 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
6V4N
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BU of 6v4n by Molmil
Structure of human 1G05 Fab in complex with influenza virus neuraminidase from B/Phuket/3073/2013
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Antibody Fab heavy chain, Antibody Fab light chain, ...
Authors:Dai, Y.N, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2019-11-28
Release date:2020-10-07
Last modified:2020-10-28
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Human Antibodies Targeting Influenza B Virus Neuraminidase Active Site Are Broadly Protective.
Immunity, 53, 2020
8E6K
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BU of 8e6k by Molmil
2H08 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2H08 fragment antigen binding heavy chain, 2H08 fragment antigen binding light chain, ...
Authors:Turner, H.L, Ozorowski, G, Ward, A.B.
Deposit date:2022-08-22
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8E6J
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BU of 8e6j by Molmil
3H03 Fab in complex with influenza virus neuraminidase from A/Brevig Mission/1/1918 (H1N1)
Descriptor: 3H03 fragment antigen binding heavy chain, 3H03 fragment antigen binding light chain, Neuraminidase
Authors:Turner, H.L, Ozorowski, G, Ward, A.B.
Deposit date:2022-08-22
Release date:2023-08-09
Last modified:2023-08-23
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8EQA
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BU of 8eqa by Molmil
Crystal structure of human anti-N1 neuraminidase 2H08 Fab
Descriptor: 2H08 Fab heavy chain, 2H08 Fab light chain, ZINC ION
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-10-07
Release date:2023-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
8EQC
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BU of 8eqc by Molmil
Crystal structure of human anti-N1 neuraminidase 3H03 Fab
Descriptor: 3H03 Fab heavy chain, 3H03 Fab light chain, PHOSPHATE ION
Authors:Zhu, X, Wilson, I.A.
Deposit date:2022-10-07
Release date:2023-08-09
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human anti-N1 monoclonal antibodies elicited by pandemic H1N1 virus infection broadly inhibit HxN1 viruses in vitro and in vivo.
Immunity, 56, 2023
5LRB
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BU of 5lrb by Molmil
Plastidial phosphorylase from Barley in complex with acarbose
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Alpha-1,4 glucan phosphorylase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M.
Deposit date:2016-08-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
5LR8
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BU of 5lr8 by Molmil
Structure of plastidial phosphorylase Pho1 from Barley
Descriptor: Alpha-1,4 glucan phosphorylase, CITRIC ACID, PYRIDOXAL-5'-PHOSPHATE
Authors:Cuesta-Seijo, J.A, Ruzanski, C, Kruzewicz, K, Palcic, M.M.
Deposit date:2016-08-18
Release date:2017-05-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Functional and structural characterization of plastidic starch phosphorylase during barley endosperm development.
PLoS ONE, 12, 2017
2OMW
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BU of 2omw by Molmil
Crystal structure of InlA S192N Y369S/mEC1 complex
Descriptor: CHLORIDE ION, Epithelial-cadherin, Internalin-A
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMV
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BU of 2omv by Molmil
Crystal structure of InlA S192N Y369S/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
2OMY
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BU of 2omy by Molmil
Crystal structure of InlA S192N/hEC1 complex
Descriptor: CALCIUM ION, CHLORIDE ION, Epithelial-cadherin, ...
Authors:Wollert, T, Heinz, D.W, Schubert, W.D.
Deposit date:2007-01-23
Release date:2007-06-05
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Extending the host range of Listeria monocytogenes by rational protein design.
Cell(Cambridge,Mass.), 129, 2007
6RMS
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BU of 6rms by Molmil
The Structure of variant D274E of the Mo-insertase domain Cnx1E from Arabidopsis thaliana in complex with AMP
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, IMIDAZOLE, ...
Authors:Krausze, J.
Deposit date:2019-05-07
Release date:2020-02-19
Last modified:2024-01-24
Method:SOLUTION SCATTERING (1.74 Å), X-RAY DIFFRACTION
Cite:Insights into the Cnx1E catalyzed MPT-AMP hydrolysis.
Biosci.Rep., 40, 2020

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數據於2024-09-11公開中

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