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6EV0
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BU of 6ev0 by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (AC129)
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, [(3~{R})-3-carboxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridin-8-yl]-dimethyl-azanium, ...
Authors:Begum, A, Hall, M, Grundstrom, C, Cairns, A.G, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
Deposit date:2017-10-31
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXK
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BU of 6exk by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - unfolded HTH motif
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin regulatory protein, SODIUM ION, ...
Authors:Hall, M, Grundstrom, C, Begum, A, Kulen, M, Lindgren, M, Johansson, J, Almqvist, F, Sauer, U.H, Sauer-Eriksson, A.E.
Deposit date:2017-11-08
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
4X3F
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BU of 4x3f by Molmil
Crystal structure of the intracellular domain of the M. tuberculosis Ser/Thr kinase PknA
Descriptor: Serine/threonine-protein kinase PknA
Authors:Wagner, T, Wehenkel, A, Alzari, P.M, Bellinzoni, M.
Deposit date:2014-11-28
Release date:2015-01-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystal structure of the catalytic domain of the ser/thr kinase PknA from M. tuberculosis shows an Src-like autoinhibited conformation.
Proteins, 83, 2015
8BT1
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BU of 8bt1 by Molmil
YdaT transcription regulator (CII functional analog)
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Prolic-Kalinsek, M, Loris, R.
Deposit date:2022-11-27
Release date:2023-02-22
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (2.39788437 Å)
Cite:Structural basis of DNA binding by YdaT, a functional equivalent of the CII repressor in the cryptic prophage CP-933P from Escherichia coli O157:H7.
Acta Crystallogr D Struct Biol, 79, 2023
2VD6
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BU of 2vd6 by Molmil
Human adenylosuccinate lyase in complex with its substrate N6-(1,2- Dicarboxyethyl)-AMP, and its products AMP and fumarate.
Descriptor: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, ADENOSINE MONOPHOSPHATE, ADENYLOSUCCINATE LYASE, ...
Authors:Stenmark, P, Moche, M, Arrowsmith, C, Berglund, H, Busam, R, Collins, R, Dahlgren, L.G, Edwards, A, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Hallberg, B.M, Holmberg-schiavone, L, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Lehtio, L, Nilsson, M, Nyman, T, Ogg, D, Persson, C, Sagemark, J, Sundstrom, M, Thorsell, A.G, Tresaugues, L, van den Berg, S, Weigelt, J, Welin, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2007-09-30
Release date:2007-10-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Human Adenylosuccinate Lyase in Complex with its Substrate N6-(1,2-Dicarboxyethyl)-AMP, and its Products AMP and Fumarate.
To be Published
8CO2
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BU of 8co2 by Molmil
YdaS N-terminal domain from prophage CP-933P in E. coli O157:H7
Descriptor: ISOPROPYL ALCOHOL, Putative antirepressor protein Cro, SULFATE ION
Authors:Prolic-Kalinsek, M, Loris, R.
Deposit date:2023-02-26
Release date:2023-03-08
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.63880718 Å)
Cite:YdaS from the Escherichia coli cryptic prophage CP-933P forms an evolutionary link between Cro repressors and HigA antitoxins
To Be Published
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
Descriptor: Alpha chain of A6 T-cell receptor, Beta chain 1 of A6 T-cell receptor TRBC1, CHLORIDE ION, ...
Authors:Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
Deposit date:2020-10-09
Release date:2022-04-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.64 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
Authors:Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
Deposit date:2020-10-09
Release date:2022-04-20
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.353 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Human A6 T-cell receptor alpha chain, ...
Authors:Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Svensson, A, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
Deposit date:2020-10-09
Release date:2022-04-20
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (2.419 Å)
Cite: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
Descriptor: CHLORIDE ION, GLYCEROL, Human Jovi-1 Fab fragment, ...
Authors:Ferrari, M, Bulek, A, Bughda, R, Jha, R, Welin, M, Logan, D.T, Sewell, A, Onuoha, S, Pule, M.
Deposit date:2020-10-09
Release date:2022-04-20
Last modified:2022-04-27
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:Structure-Guided Engineering of Immunotherapies Targeting TRBC1 and TRBC2 in T Cell Malignancies
Res Sq, 2022
2V4M
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BU of 2v4m by Molmil
The isomerase domain of human glutamine-fructose-6-phosphate transaminase 1 (GFPT1) in complex with fructose 6-phosphate
Descriptor: CHLORIDE ION, FRUCTOSE -6-PHOSPHATE, GLUCOSAMINE--FRUCTOSE-6-PHOSPHATE AMINOTRANSFERASE [ISOMERIZING] 1
Authors:Moche, M, Lehtio, L, Andersson, J, Arrowsmith, C.H, Berglund, H, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Svensson, S, Schueler, H, Thorsell, A.G, Tresaugues, L, Uppenberg, J, Van Den Berg, S, Welin, M, Wisniewska, M, Weigelt, J, Nordlund, P, Wikstrom, M.
Deposit date:2008-09-26
Release date:2008-10-07
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:The Isomerase Domain of Human Gfpt1 in Complex with Fructose 6-Phosphate
To be Published
4ZZN
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BU of 4zzn by Molmil
Human ERK2 in complex with an inhibitor
Descriptor: 2-[[5-chloranyl-2-(oxan-4-ylamino)pyridin-4-yl]amino]-N-methyl-benzamide, MITOGEN-ACTIVATED PROTEIN KINASE 1, SULFATE ION
Authors:Ward, R.A, Colclough, N, Challinor, M, Debreczeni, J.E, Eckersley, K, Fairley, G, Feron, L, Flemington, V, Graham, M.A, Greenwood, R, Hopcroft, P, Howard, T.D, James, M, Jones, C.D, Jones, C.R, Renshaw, J, Roberts, K, Snow, L, Tonge, M, Yeung, K.
Deposit date:2015-04-10
Release date:2015-05-27
Last modified:2015-08-26
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Structure-Guided Design of Highly Selective and Potent Covalent Inhibitors of Erk1/2.
J.Med.Chem., 58, 2015
3I35
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BU of 3i35 by Molmil
Human SH3 domain of protein LASP1
Descriptor: LIM and SH3 domain protein 1
Authors:Siponen, M.I, Roos, A.K, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-06-30
Release date:2009-09-08
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Human SH3 domain of protein LASP1
TO BE PUBLISHED
3IHJ
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BU of 3ihj by Molmil
Human alanine aminotransferase 2 in complex with PLP
Descriptor: Alanine aminotransferase 2, PHOSPHATE ION, PYRIDOXAL-5'-PHOSPHATE
Authors:Wisniewska, M, 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, Karlberg, T, Kotenyova, T, Kotzsch, A, Moche, M, Nielsen, T.K, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Svensson, L, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-30
Release date:2009-08-18
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Human glutamate pyruvate transaminase 2
To be Published
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)
Descriptor: DEATH-ASSOCIATED PROTEIN KINASE 3, GLYCEROL, S-1,2-PROPANEDIOL
Authors:Rodrigues, T, Reker, D, Welin, M, Caldera, M, Brunner, C, Gabernet, G, Schneider, P, Walse, B, Schneider, G.
Deposit date:2015-06-30
Release date:2015-10-21
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:De Novo Fragment Design for Drug Discovery and Chemical Biology.
Angew.Chem.Int.Ed.Engl., 54, 2015
8C3K
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BU of 8c3k by Molmil
PaaR2 N-terminal domin in complex with nanobody 33
Descriptor: Nanobody 33, Phage repressor protein CI
Authors:Loris, R, Prolic-Kalinsek, M.
Deposit date:2022-12-26
Release date:2024-01-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.74972475 Å)
Cite:PaaR2, the CI equivalent in Escherichia coli O157:H7 cryptic prophage CP-933P
To be published
3IQ2
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BU of 3iq2 by Molmil
Human sorting nexin 7, phox homology (PX) domain
Descriptor: GLYCEROL, SULFATE ION, Sorting nexin-7
Authors:Karlberg, T, Wisniewska, M, 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, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Schutz, P, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC)
Deposit date:2009-08-19
Release date:2009-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Human Sorting Nexin 7, Phox Homology (Px) Domain
To be Published
6Y3H
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BU of 6y3h by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0401
Descriptor: Major allergen Cor a 1.0401
Authors:Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
Deposit date:2020-02-18
Release date:2021-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
6Y3L
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BU of 6y3l by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0404
Descriptor: Major allergen variant Cor a 1.0404
Authors:Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
Deposit date:2020-02-18
Release date:2021-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
2X8A
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BU of 2x8a by Molmil
Human Nuclear Valosin containing protein Like (NVL), C-terminal AAA- ATPase domain
Descriptor: NUCLEAR VALOSIN-CONTAINING PROTEIN-LIKE, PHOSPHATE ION
Authors:Moche, M, Schuetz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kallas, A, Karlberg, T, Kotenyova, T, Kraulis, P, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, VanDenBerg, S, Wahlberg, E, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H.
Deposit date:2010-03-08
Release date:2010-03-16
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Human Nuclear Valosin Containing Protein Like (Nvl) , C-Terminal Aaa-ATPase Domain
To be Published
6Y3I
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BU of 6y3i by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0402
Descriptor: Major allergen variant Cor a 1.0402
Authors:Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
Deposit date:2020-02-18
Release date:2021-02-17
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
2WEF
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BU of 2wef by Molmil
Human 3'(2'), 5'-bisphosphate nucleotidase 1 (BPNT1) in complex with AMP, PO4 and Magnesium
Descriptor: 3'(2'), 5'-BISPHOSPHATE NUCLEOTIDASE 1, ADENOSINE MONOPHOSPHATE, ...
Authors:Moche, M, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Dahlgren, L.G, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Nilsson, M.E, Nyman, T, Persson, C, Sagemark, J, Schueler, H, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Der Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-03-30
Release date:2009-04-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Human 3'(2'), 5'-Bisphosphate Nucleotidase 1 (Bpnt1) in Complex with AMP, Po4 and Magnesium
To be Published
6Y3K
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BU of 6y3k by Molmil
NMR solution structure of the hazelnut allergen Cor a 1.0403
Descriptor: Major allergen variant Cor a 1.0403
Authors:Fuehrer, S, Kamenik, A.S, Zeindl, R, Nothegger, B, Hofer, F, Reider, N, Liedl, K.R, Tollinger, M.
Deposit date:2020-02-18
Release date:2021-02-17
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Inverse relation between structural flexibility and IgE reactivity of Cor a 1 hazelnut allergens.
Sci Rep, 11, 2021
3IHY
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BU of 3ihy by Molmil
Human PIK3C3 crystal structure
Descriptor: Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Siponen, M.I, Tresaugues, L, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Moche, M, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-07-31
Release date:2009-10-13
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human PIK3C3 crystal structure
TO BE PUBLISHED
3IHL
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BU of 3ihl by Molmil
Human CTPS2 crystal structure
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CTP synthase 2, PHOSPHATE ION
Authors:Moche, M, 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, Karlberg, T, Kotenyova, T, Kotzsch, A, Kragh Nielsen, T, Nyman, T, Persson, C, Roos, A.K, Sagemark, J, Schueler, H, Schutz, P, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Nordlund, P, Structural Genomics Consortium (SGC)
Deposit date:2009-07-30
Release date:2009-10-13
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Human CTPS2 crystal structure
To be Published

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