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6TTG
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BU of 6ttg by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with LMD62
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-(2-morpholin-4-ylethoxy)-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-12-27
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献New dual ATP-competitive inhibitors of bacterial DNA gyrase and topoisomerase IV active against ESKAPE pathogens.
Eur.J.Med.Chem., 213, 2021
6TCK
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BU of 6tck by Molmil
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid, CALCIUM ION, ...
著者Welin, M, Kimbung, R, Focht, D.
登録日2019-11-06
公開日2020-09-23
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Rational design of balanced dual-targeting antibiotics with limited resistance.
Plos Biol., 18, 2020
7R0T
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BU of 7r0t by Molmil
Crystal structure of exonuclease ExnV1
分子名称: CHLORIDE ION, Exonuclease ExnV1, MAGNESIUM ION, ...
著者Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Jasilionis, A, Linares-Pasten, J.A, Wang, L, Nordberg Karlsson, E, Ahlqvist, J.
登録日2022-02-02
公開日2022-11-02
最終更新日2022-11-23
実験手法X-RAY DIFFRACTION (2.194 Å)
主引用文献Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
7R0K
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BU of 7r0k by Molmil
Crystal structure of Polymerase I from phage G20c
分子名称: DNA polymerase I
著者Welin, M, Svensson, A, Hakansson, M, Al-Karadaghi, S, Linares-Pasten, J.A, Jasilionis, A, Nordberg Karlsson, E, Ahlqvist, J.
登録日2022-02-02
公開日2022-11-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.972 Å)
主引用文献Crystal structure of DNA polymerase I from Thermus phage G20c.
Acta Crystallogr D Struct Biol, 78, 2022
8BSE
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BU of 8bse by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD) in complex with 1D1 Fab
分子名称: 1D1 FAB HEAVY CHAIN, 1D1 FAB LIGHT CHAIN, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
8BSF
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BU of 8bsf by Molmil
CRYSTAL STRUCTURE OF SARS-COV-2 RECEPTOR BINDING DOMAIN (RBD-beta variant) in complex with 3D2 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3D2 FAB HEAVY CHAIN, 3D2 FAB LIGHT CHAIN, ...
著者Welin, M, Kimbung, Y.R, Focht, D, Pisitkun, T.
登録日2022-11-25
公開日2023-05-17
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Efficacy of the combination of monoclonal antibodies against the SARS-CoV-2 Beta and Delta variants.
Plos One, 18, 2023
5A7C
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BU of 5a7c by Molmil
Crystal structure of the second bromodomain of human BRD3 in complex with compound
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 3, N-(6-ACETAMIDOHEXYL)ACETAMIDE
著者Welin, M, Kimbung, R, Diehl, C, Hakansson, M, Logan, D.T, Walse, B.
登録日2015-07-03
公開日2016-03-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Cancer Differentiating Agent Hexamethylene Bisacetamide Inhibits Bet Bromodomain Proteins.
Cancer Res., 76, 2016
4AQL
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BU of 4aql by Molmil
HUMAN GUANINE DEAMINASE IN COMPLEX WITH VALACYCLOVIR
分子名称: 2-[(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl L-valinate, GUANINE DEAMINASE, ZINC ION
著者Welin, M, Egeblad, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Graslund, S, Hammarstrom, M, Johansson, I, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Schuler, H, Thorsell, A.G, Tresaugues, L, Weigelt, J, Nordlund, P.
登録日2012-04-18
公開日2012-05-02
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Pan-Pathway Based Interaction Profiling of Fda-Approved Nucleoside and Nucleobase Analogs with Enzymes of the Human Nucleotide Metabolism.
Plos One, 7, 2012
2QK4
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BU of 2qk4 by Molmil
Human glycinamide ribonucleotide synthetase
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Lehtio, L, Welin, M, Arrowsmith, C.H, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2007-07-10
公開日2007-07-24
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural studies of tri-functional human GART.
Nucleic Acids Res., 38, 2010
3KVH
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BU of 3kvh by Molmil
Crystal structure of human protein syndesmos (NUDT16-like protein)
分子名称: CHLORIDE ION, GLYCEROL, Protein syndesmos
著者Tresaugues, L, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kotzsch, A, Kraulis, P, Moche, M, Nielsen, T.K, Nyman, T, Persson, C, Roos, A.K, Schuler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
登録日2009-11-30
公開日2010-01-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of human protein syndesmos (NUDT16L1)
To be Published
2QQ2
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BU of 2qq2 by Molmil
Crystal structure of C-terminal domain of Human acyl-CoA thioesterase 7
分子名称: Cytosolic acyl coenzyme A thioester hydrolase
著者Busam, R, Lehtio, L, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Herman, M.D, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-Schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Sagemark, J, Stenmark, P, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Persson, C, Structural Genomics Consortium (SGC)
登録日2007-07-26
公開日2007-08-14
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Human acyl-CoA thioesterase 7.
To be Published
3CC6
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BU of 3cc6 by Molmil
Crystal structure of kinase domain of protein tyrosine kinase 2 beta (PTK2B)
分子名称: GLYCEROL, MAGNESIUM ION, Protein tyrosine kinase 2 beta
著者Busam, R.D, Lehtio, L, Karlberg, T, Arrowsmith, C.H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Helleday, T, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2008-02-25
公開日2008-03-11
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of Protein Tyrosine Kinase 2 Beta (PTK2B) Kinase domain.
To be Published
3C5N
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BU of 3c5n by Molmil
Structure of human TULP1 in complex with IP3
分子名称: D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Tubby-related protein 1
著者Busam, R.D, Lehtio, L, Arrowsmith, C.H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Herman, M.D, Johansson, A, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Moche, M, Nilsson, M.E, Nordlund, P, Nyman, T, Persson, C, Sagemark, J, Svensson, L, Thorsell, A.G, Tresaugues, L, Van den Berg, S, Weigelt, J, Welin, M, Berglund, H, Structural Genomics Consortium (SGC)
登録日2008-01-31
公開日2008-04-01
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of human TULP1 in complex with IP3
To be published
8P4Z
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BU of 8p4z by Molmil
Crystal structure of the human CDK7 kinase domain in complex with LDC4297
分子名称: 2-[(3R)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine, Cyclin-dependent kinase 7, GLYCEROL, ...
著者Laursen, M, Caing-Carlsson, R, Houssari, R, Javadi, A, Kimbung, Y.R, Murina, V, Orozco-Rodriguez, J.M, Svensson, A, Welin, M, Logan, D, Svensson, B, Walse, B.
登録日2023-05-23
公開日2023-06-14
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献Crystal structure of the human CDK7 kinase domain in complex with LDC4297
To Be Published
8F0L
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BU of 8f0l by Molmil
Crystal Structure of the Human T cell Receptor CD3(EPSILON) N-Terminal Peptide Complexed with ADI-26906 FAB
分子名称: ADI-26906 Fab Heavy Chain, ADI-26906 Fab Light Chain, GLYCEROL, ...
著者Battles, M.B, Welin, M.
登録日2022-11-03
公開日2023-03-29
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Structure-based engineering of a novel CD3 epsilon-targeting antibody for reduced polyreactivity.
Mabs, 15, 2023
6Y4C
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BU of 6y4c by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using an XtalTool support
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Shilova, A, Hakansson, M, Welin, M, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-20
公開日2020-06-17
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
6Y78
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BU of 6y78 by Molmil
Structure of galectin-3C in complex with lactose determined by serial crystallography using a silicon nitride membrane support
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Hakansson, M, Welin, M, Shilova, A, Kovacic, R, Mueller, U, Logan, D.T.
登録日2020-02-28
公開日2020-07-29
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Current status and future opportunities for serial crystallography at MAX IV Laboratory.
J.Synchrotron Radiat., 27, 2020
7R58
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BU of 7r58 by Molmil
Crystal structure of the GPVI-glenzocimab complex
分子名称: CHLORIDE ION, Fab heavy chain, Fab light chain, ...
著者Jandrot-Perrus, M, Lebozec, K, Rose, N, Welin, M, Billiald, P.
登録日2022-02-10
公開日2022-11-16
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.902 Å)
主引用文献Targeting platelet GPVI with glenzocimab: a novel mechanism for inhibition.
Blood Adv, 7, 2023
4CMN
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BU of 4cmn by Molmil
Crystal structure of OCRL in complex with a phosphate ion
分子名称: GLYCEROL, INOSITOL POLYPHOSPHATE 5-PHOSPHATASE OCRL-1, MAGNESIUM ION, ...
著者Tresaugues, L, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P.
登録日2014-01-16
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.13 Å)
主引用文献Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
4CML
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BU of 4cml by Molmil
Crystal Structure of INPP5B in complex with Phosphatidylinositol 3,4- bisphosphate
分子名称: 1,2-dioctanoyl phosphatidyl epi-inositol (3,4)-bisphosphate, CHLORIDE ION, GLYCEROL, ...
著者Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Flodin, S, Graslund, S, Karlberg, T, Moche, M, Nyman, T, Schuler, H, Silvander, C, Thorsell, A.G, Weigelt, J, Welin, M, Nordlund, P.
登録日2014-01-16
公開日2014-04-16
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural Basis for Phosphoinositide Substrate Recognition, Catalysis, and Membrane Interactions in Human Inositol Polyphosphate 5-Phosphatases.
Structure, 22, 2014
7AMP
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BU of 7amp by Molmil
Crystal structure of the complex of HuJovi-1 Fab with the human A6 T-cell receptor TRBC1
分子名称: Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
7AMQ
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BU of 7amq by Molmil
Crystal structure of the complex of HuJovi-1 Fab with the human TRBC2
分子名称: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.353 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
7AMS
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BU of 7ams by Molmil
Crystal structure of the complex of the KFN mutant of HuJovi-1 Fab with human TRBC2
分子名称: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (2.419 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
7AMR
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BU of 7amr by Molmil
Crystal structure of the complex of the KFN mutant of Jovi-1 Fab with human TRBC1
分子名称: CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ...
著者Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
登録日2020-10-09
公開日2022-04-20
最終更新日2022-04-27
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
5A6O
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BU of 5a6o by Molmil
Crystal structure of the apo form of the unphosphorylated human death associated protein kinase 3 (DAPK3)
分子名称: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
著者Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
登録日2015-06-30
公開日2015-10-21
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015

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