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6YS3
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BU of 6ys3 by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Schulte, L, Reitz, J, Kudlinzki, D, Hodirnau, V.V, Frangakis, A, Schwalbe, H.
Deposit date:2020-04-20
Release date:2020-09-30
Method:ELECTRON MICROSCOPY (2.58 Å)
Cite:Cryo-EM structure of the 50S ribosomal subunit at 2.58 Angstroms with modeled GBC SecM peptide
Nat Commun, 2020
6QDW
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BU of 6qdw by Molmil
Cryo-EM structure of the 50S ribosomal subunit at 2.83 Angstroms with modeled GBC SecM peptide
Descriptor: 23S rRNA, 50S ribosomal protein L13, 50S ribosomal protein L14, ...
Authors:Schulte, L, Reitz, J, Hodirnau, V.V, Kudlinzki, D, Mao, J, Glaubitz, C, Frangakis, A, Schwalbe, H.
Deposit date:2019-01-03
Release date:2020-01-15
Last modified:2020-12-02
Method:ELECTRON MICROSCOPY (2.83 Å)
Cite:Cysteine oxidation and disulfide formation in the ribosomal exit tunnel.
Nat Commun, 11, 2020
8PH4
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BU of 8ph4 by Molmil
Co-Crystal structure of the SARS-CoV2 main protease Nsp5 with an Uracil-carrying X77-like inhibitor
Descriptor: 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, MALONATE ION, ...
Authors:Barthel, T, Altincekic, N, Jores, N, Wollenhaupt, J, Weiss, M.S, Schwalbe, H.
Deposit date:2023-06-18
Release date:2024-01-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Targeting the Main Protease (M pro , nsp5) by Growth of Fragment Scaffolds Exploiting Structure-Based Methodologies.
Acs Chem.Biol., 19, 2024
8F2E
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BU of 8f2e by Molmil
Crystal Structure of the CoV-Y domain of SARS-CoV-2 Nonstructural Protein 3
Descriptor: GLYCEROL, Papain-like protease nsp3
Authors:Li, Y, Shi, W, Hao, B.
Deposit date:2022-11-07
Release date:2023-03-08
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Crystal structure of the CoV-Y domain of SARS-CoV-2 nonstructural protein 3.
Sci Rep, 13, 2023
8R1V
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BU of 8r1v by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-11-02
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8R0I
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BU of 8r0i by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
8PJ0
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BU of 8pj0 by Molmil
Pseudomonas aeruginosa FabF C164A mutant in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-methylbutanamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Georgiou, C, Brenk, R, Espeland, L.O.
Deposit date:2023-06-22
Release date:2024-02-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
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
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
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
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
8BOG
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BU of 8bog by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with Compound 7
Descriptor: Ephrin type-A receptor 2, ~{N}-[4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)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 (1.47 Å)
Cite:Optimization of the Lead Compound NVP-BHG712 as a Colorectal Cancer Inhibitor.
Chemistry, 29, 2023
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
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
6HL0
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BU of 6hl0 by Molmil
Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide
Descriptor: Bile acid receptor, NCoA-2 peptide (Nuclear receptor coactivator 2), LYS-GLU-ASN-ALA-LEU-LEU-ARG-TYR-LEU-LEU-ASP-LYS-ASP
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2018-09-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
6HL1
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BU of 6hl1 by Molmil
Crystal Structure of Farnesoid X receptor (FXR) with bound NCoA-2 peptide and CDCA
Descriptor: Bile acid receptor, CHENODEOXYCHOLIC ACID, NCoA-2 peptide (Nuclear receptor coactivator 2), ...
Authors:Kudlinzki, D, Merk, D, Linhard, V.L, Saxena, K, Schubert-Zsilavecz, M, Schwalbe, H.
Deposit date:2018-09-10
Release date:2019-05-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Molecular tuning of farnesoid X receptor partial agonism.
Nat Commun, 10, 2019
2EIQ
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BU of 2eiq by Molmil
Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Thioredoxin 1
Authors:Kobayashi, M.
Deposit date:2007-03-13
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
J.Mol.Biol., 372, 2007
2EIR
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BU of 2eir by Molmil
Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
Descriptor: COPPER (II) ION, Thioredoxin 1
Authors:Kobayashi, M.
Deposit date:2007-03-13
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
J.Mol.Biol., 372, 2007
2EIO
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BU of 2eio by Molmil
Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
Descriptor: Thioredoxin 1
Authors:Kobayashi, M.
Deposit date:2007-03-13
Release date:2007-09-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Design of Disulfide-linked Thioredoxin Dimers and Multimers Through Analysis of Crystal Contacts
J.Mol.Biol., 372, 2007
6FNL
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BU of 6fnl by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase
Descriptor: Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.269 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNI
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BU of 6fni by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with NVP-BHG712
Descriptor: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.468 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
4I94
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BU of 4i94 by Molmil
Structure of BSK8 in complex with AMP-PNP
Descriptor: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Probable serine/threonine-protein kinase At5g41260
Authors:Gruetter, C, Rauh, D.
Deposit date:2012-12-04
Release date:2013-08-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
4I93
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BU of 4i93 by Molmil
Structure of the BSK8 kinase domain (SeMet labeled)
Descriptor: Probable serine/threonine-protein kinase At5g41260
Authors:Gruetter, C, Rauh, D.
Deposit date:2012-12-04
Release date:2013-08-14
Last modified:2013-11-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Characterization of the RLCK Family Member BSK8: A Pseudokinase with an Unprecedented Architecture
J.Mol.Biol., 425, 2013
6FNF
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BU of 6fnf by Molmil
Crystal Structure of Ephrin A2 (EphA2) Receptor Protein Kinase with NVP-BHG712
Descriptor: 4-methyl-3-[(1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide, Ephrin type-A receptor 2
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Gande, S.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.556 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018
6FNK
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BU of 6fnk by Molmil
Crystal Structure of Ephrin B4 (EphB4) Receptor Protein Kinase with a pyrazolo[3,4-d]pyrimidine fragment of NVP-BHG712
Descriptor: 1,2-ETHANEDIOL, 1-methyl-6-pyridin-3-yl-pyrazolo[3,4-d]pyrimidin-4-amine, Ephrin type-B receptor 4
Authors:Kudlinzki, D, Troester, A, Witt, K, Linhard, V.L, Saxena, K, Schwalbe, H.
Deposit date:2018-02-04
Release date:2018-08-08
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:NVP-BHG712: Effects of Regioisomers on the Affinity and Selectivity toward the EPHrin Family.
ChemMedChem, 13, 2018

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数据于2024-06-12公开中

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