5QI2
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![BU of 5qi2 by Molmil](/molmil-images/mine/5qi2) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000110a | Descriptor: | 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.08 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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5QIA
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![BU of 5qia by Molmil](/molmil-images/mine/5qia) | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000242a | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ... | Authors: | Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J. | Deposit date: | 2018-05-21 | Release date: | 2019-04-10 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.14 Å) | Cite: | PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) To Be Published
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2CFI
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![BU of 2cfi by Molmil](/molmil-images/mine/2cfi) | The hydrolase domain of human 10-FTHFD in complex with 6- formyltetrahydropterin | Descriptor: | 10-FORMYLTETRAHYDROFOLATE DEHYDROGENASE, 6-FORMYLTETRAHYDROPTERIN, SULFATE ION | Authors: | Kursula, P, Stenmark, P, Arrowsmith, C, Edwards, A, Ehn, M, Graslund, S, Hammarstrom, M, Hallberg, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Ogg, D.J, Persson, C, Sagemark, J, Schuler, H, Sundstrom, M, Thorsell, A, Weigelt, J. | Deposit date: | 2006-02-21 | Release date: | 2006-03-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structures of the Hydrolase Domain of Human 10-Formyltetrahydrofolate Dehydrogenase and its Complex with a Substrate Analogue. Acta Crystallogr.,Sect.D, 62, 2006
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1QNS
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![BU of 1qns by Molmil](/molmil-images/mine/1qns) | The 3-D structure of a Trichoderma reesei b-mannanase from glycoside hydrolase family 5 | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-1,4-B-D-MANNANASE, ... | Authors: | Sabini, E, Schubert, H, Murshudov, G, Wilson, K.S, Siika-Aho, M, Penttila, M. | Deposit date: | 1999-10-20 | Release date: | 2000-10-19 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Three-Dimensional Structure of a Trichoderma Reesei Beta-Mannanase from Glycoside Hydrolase Family 5 Acta Crystallogr.,Sect.D, 56, 2000
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2A98
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![BU of 2a98 by Molmil](/molmil-images/mine/2a98) | Crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C | Descriptor: | D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol 1,4,5-trisphosphate 3-kinase C | Authors: | Hallberg, B.M, Ogg, D, Ehn, M, Graslund, S, Hammarstrom, M, Kotenyova, T, Nilsson-Ehle, P, Nordlund, P, Persson, C, Sagemark, J, Schuler, H, Stenmark, P, Thorsell, A.-G, Arrowsmith, C, Edwards, A, Sundstrom, M, Weigelt, J, Structural Genomics Consortium (SGC) | Deposit date: | 2005-07-11 | Release date: | 2005-07-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | The crystal structure of the catalytic domain of human inositol 1,4,5-trisphosphate 3-kinase C To be Published
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2JKF
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![BU of 2jkf by Molmil](/molmil-images/mine/2jkf) | Plasmodium falciparum profilin | Descriptor: | PROFILIN | Authors: | Kursula, I, Kursula, P, Ganter, M, Panjikar, S, Matuschewski, K, Schueler, H. | Deposit date: | 2008-08-28 | Release date: | 2008-09-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Basis for Parasite-Specific Functions of the Divergent Profilin of Plasmodium Falciparum Structure, 16, 2008
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6HXS
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![BU of 6hxs by Molmil](/molmil-images/mine/6hxs) | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD | Descriptor: | ADENOSINE, CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE, GLYCEROL, ... | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | Deposit date: | 2018-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH CARBA-NAD To Be Published
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6HXR
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![BU of 6hxr by Molmil](/molmil-images/mine/6hxr) | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47 | Descriptor: | 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide, Mono [ADP-ribose] polymerase PARP16 | Authors: | Karlberg, T, Pinto, A.F, Thorsell, A.G, Schuler, H. | Deposit date: | 2018-10-18 | Release date: | 2019-10-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Human PARP16 (ARTD15) IN COMPLEX WITH EB-47 To Be Published
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1EE7
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![BU of 1ee7 by Molmil](/molmil-images/mine/1ee7) | NMR STRUCTURE OF THE PEPTAIBOL CHRYSOSPERMIN C BOUND TO DPC MICELLES | Descriptor: | CHRYSOSPERMIN C | Authors: | Anders, R, Ohlenschlager, O, Soskic, V, Wenschuh, H, Heise, B, Brown, L.R. | Deposit date: | 2000-01-31 | Release date: | 2000-05-10 | Last modified: | 2023-11-15 | Method: | SOLUTION NMR | Cite: | The NMR Solution Structure of the Ion Channel Peptaibol Chrysospermin C Bound to Dodecylphosphocholine Micelles. Eur.J.Biochem., 267, 2000
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3QTE
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![BU of 3qte by Molmil](/molmil-images/mine/3qte) | |
3DWB
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![BU of 3dwb by Molmil](/molmil-images/mine/3dwb) | structure of human ECE-1 complexed with phosphoramidon | Descriptor: | 5-(2-hydroxyethyl)nonane-1,9-diol, Endothelin-converting enzyme 1, N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN, ... | Authors: | Oefner, C. | Deposit date: | 2008-07-22 | Release date: | 2008-11-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Structure of human endothelin-converting enzyme I complexed with phosphoramidon J.Mol.Biol., 385, 2009
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8S9G
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![BU of 8s9g by Molmil](/molmil-images/mine/8s9g) | SARS-CoV-2 BN.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Fab Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-03-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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6LUS
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![BU of 6lus by Molmil](/molmil-images/mine/6lus) | Crystal structure of the Mengla Virus VP30 C-terminal domain | Descriptor: | Minor nucleoprotein VP30 | Authors: | Dong, S.S, Wen, K.N, Chu, H.G, Wang, C.H, Qin, X.C. | Deposit date: | 2020-01-30 | Release date: | 2020-12-02 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Crystal structure of the Mengla virus VP30 C-terminal domain. Biochem.Biophys.Res.Commun., 525, 2020
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8FXB
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![BU of 8fxb by Molmil](/molmil-images/mine/8fxb) | SARS-CoV-2 XBB.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-01-24 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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8FXC
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![BU of 8fxc by Molmil](/molmil-images/mine/8fxc) | SARS-CoV-2 BQ.1.1 spike RBD bound to the human ACE2 ectodomain and the S309 neutralizing antibody Fab fragment | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, S309 Heavy chain, ... | Authors: | Park, Y.J, Seattle Structural Genomics Center for Infectious Disease (SSGCID), Veesler, D. | Deposit date: | 2023-01-24 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Neutralization, effector function and immune imprinting of Omicron variants. Nature, 621, 2023
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7Y5N
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![BU of 7y5n by Molmil](/molmil-images/mine/7y5n) | Structure of 1:1 PAPP-A.ProMBP complex(half map) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Bone marrow proteoglycan, ... | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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7Y5Q
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![BU of 7y5q by Molmil](/molmil-images/mine/7y5q) | Structure of 1:1 PAPP-A.STC2 complex(half map) | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-06-17 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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5G5J
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![BU of 5g5j by Molmil](/molmil-images/mine/5g5j) | Crystal structure of human CYP3A4 bound to metformin | Descriptor: | CYTOCHROME P450 3A4, Metformin, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Sevrioukova, I. | Deposit date: | 2016-05-25 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Heme Binding Biguanides Target Cytochrome P450-Dependent Cancer Cell Mitochondria. Cell Chem Biol, 24, 2017
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6M56
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![BU of 6m56 by Molmil](/molmil-images/mine/6m56) | |
5ZAZ
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![BU of 5zaz by Molmil](/molmil-images/mine/5zaz) | |
8HGH
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![BU of 8hgh by Molmil](/molmil-images/mine/8hgh) | Structure of 2:2 PAPP-A.STC2 complex | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (4.16 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HGG
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![BU of 8hgg by Molmil](/molmil-images/mine/8hgg) | Structure of 2:2 PAPP-A.ProMBP complex | Descriptor: | Bone marrow proteoglycan, Pappalysin-1, ZINC ION | Authors: | Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J. | Deposit date: | 2022-11-14 | Release date: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.64 Å) | Cite: | Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2. Cell Discov, 8, 2022
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8HHT
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![BU of 8hht by Molmil](/molmil-images/mine/8hht) | Crystal structure of the SARS-CoV-2 main protease in complex with Hit-1 | Descriptor: | 3C-like proteinase nsp5, DIMETHYL SULFOXIDE, ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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8HHU
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![BU of 8hhu by Molmil](/molmil-images/mine/8hhu) | Crystal structure of the SARS-CoV-2 main protease in complex with SY110 | Descriptor: | (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide, 3C-like proteinase nsp5 | Authors: | Zeng, R, Xie, L.W, Huang, C, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J. | Deposit date: | 2022-11-17 | Release date: | 2023-03-29 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.258 Å) | Cite: | A new generation M pro inhibitor with potent activity against SARS-CoV-2 Omicron variants. Signal Transduct Target Ther, 8, 2023
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7SI2
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![BU of 7si2 by Molmil](/molmil-images/mine/7si2) | |