6H5N
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5MZA
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![BU of 5mza by Molmil](/molmil-images/mine/5mza) | The DBLb domain of PF11_0521 PfEMP1 bound to human ICAM-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Erythrocyte membrane protein 1 (PfEMP1), ... | Authors: | Lennartz, F, Higgins, M.K. | Deposit date: | 2017-01-31 | Release date: | 2017-03-22 | Last modified: | 2020-10-07 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structure-Guided Identification of a Family of Dual Receptor-Binding PfEMP1 that Is Associated with Cerebral Malaria. Cell Host Microbe, 21, 2017
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6S8T
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6S8U
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![BU of 6s8u by Molmil](/molmil-images/mine/6s8u) | Structure of the PfEMP1 IT4var13 DBLbeta domain bound to ICAM-1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Erythrocyte membrane protein 1, ... | Authors: | Lennartz, F, Higgins, M.K. | Deposit date: | 2019-07-10 | Release date: | 2019-09-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.67 Å) | Cite: | Structural insights into diverse modes of ICAM-1 binding byPlasmodium falciparum-infected erythrocytes. Proc.Natl.Acad.Sci.USA, 116, 2019
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7PPU
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7PPV
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7PPT
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8BOC
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![BU of 8boc by Molmil](/molmil-images/mine/8boc) | 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
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8CJB
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![BU of 8cjb by Molmil](/molmil-images/mine/8cjb) | A268M variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | ACETATE ION, CO-methylating acetyl-CoA synthase, Carbon monoxide dehydrogenase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-13 | Release date: | 2024-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 2024
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8CJA
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![BU of 8cja by Molmil](/molmil-images/mine/8cja) | A225L/F231A variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-13 | Release date: | 2024-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 2024
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8CMW
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![BU of 8cmw by Molmil](/molmil-images/mine/8cmw) | A225L variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-21 | Release date: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A225L variant of the CODH/ACS complex of C. hydrogenoformans To Be Published
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8CJC
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![BU of 8cjc by Molmil](/molmil-images/mine/8cjc) | F515A variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J, Lennartz, F, Dobbek, H. | Deposit date: | 2023-02-13 | Release date: | 2024-02-21 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 2024
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8BOG
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![BU of 8bog by Molmil](/molmil-images/mine/8bog) | 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
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8BOM
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![BU of 8bom by Molmil](/molmil-images/mine/8bom) | 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
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8BOH
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![BU of 8boh by Molmil](/molmil-images/mine/8boh) | 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
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8BOD
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![BU of 8bod by Molmil](/molmil-images/mine/8bod) | 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
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8BOI
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![BU of 8boi by Molmil](/molmil-images/mine/8boi) | 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
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8BOK
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![BU of 8bok by Molmil](/molmil-images/mine/8bok) | 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
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8BOF
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![BU of 8bof by Molmil](/molmil-images/mine/8bof) | 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
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7ZXF
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![BU of 7zxf by Molmil](/molmil-images/mine/7zxf) | Pfs48/45 bound to monoclonal antibodies 10D8 and 85RF45.1 | Descriptor: | 10D8 heavy chain, 10D8 light chain, 85RF45.1 heavy chain, ... | Authors: | Ko, K.T, Lennartz, F.L, Higgins, M.K. | Deposit date: | 2022-05-20 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.72 Å) | Cite: | Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies. Nat Commun, 13, 2022
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7ZWF
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![BU of 7zwf by Molmil](/molmil-images/mine/7zwf) | Pfs48/45 bound to scFv fragment of monoclonal antibody 32F3 | Descriptor: | 32F3scFv, Gametocyte surface protein P45/48, alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose | Authors: | Ko, K.T, Lennartz, F.L, Higgins, M.K. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.132 Å) | Cite: | Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies. Nat Commun, 13, 2022
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7ZWM
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![BU of 7zwm by Molmil](/molmil-images/mine/7zwm) | Pfs48/45 central and C-terminal domains bound to Fab fragments of monoclonal antibody 10D8 and 32F3 | Descriptor: | 10D8 heavy chain, 10D8 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ko, K.T, Lennartz, F.L, Higgins, M.K. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.69 Å) | Cite: | Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies. Nat Commun, 13, 2022
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7ZWI
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![BU of 7zwi by Molmil](/molmil-images/mine/7zwi) | Pfs48/45 C-terminal domain bound to fab fragment of monoclonal antibody 32F3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 32F3 heavy chain, 32F3 light chain, ... | Authors: | Ko, K.T, Lennartz, F.L, Higgins, M.K. | Deposit date: | 2022-05-19 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies. Nat Commun, 13, 2022
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7ZXG
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![BU of 7zxg by Molmil](/molmil-images/mine/7zxg) | Pfs48/45 bound to Fab fragment of monoclonal antibody 10D8 | Descriptor: | 10D8 heavy chain, 10D8 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ko, K.T, Lennartz, F.L, Higgins, M.K. | Deposit date: | 2022-05-20 | Release date: | 2022-06-22 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (4.2 Å) | Cite: | Structure of the malaria vaccine candidate Pfs48/45 and its recognition by transmission blocking antibodies. Nat Commun, 13, 2022
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7ZKV
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![BU of 7zkv by Molmil](/molmil-images/mine/7zkv) | F231A variant of the CODH/ACS complex of C. hydrogenoformans | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, CO-methylating acetyl-CoA synthase, ... | Authors: | Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H. | Deposit date: | 2022-04-13 | Release date: | 2022-11-02 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (2.066 Å) | Cite: | Coupling CO2 Reduction and Acetyl-CoA Formation: The Role of a CO Capturing Tunnel in Enzymatic Catalysis. Angew.Chem.Int.Ed.Engl., 2024
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