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5SUZ
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BU of 5suz by Molmil
Domain-swapped dimer of human Dishevelled2 DEP domain: C-centered monoclinic crystal form crystallised from monomeric fraction
Descriptor: Segment polarity protein dishevelled homolog DVL-2
Authors:Renko, M, Gammons, M.V, Bienz, M.
Deposit date:2016-08-04
Release date:2016-10-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Wnt Signalosome Assembly by DEP Domain Swapping of Dishevelled.
Mol.Cell, 64, 2016
1UU4
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BU of 1uu4 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A IN COMPLEX WITH CELLOBIOSE
Descriptor: ENDO-BETA-1,4-GLUCANASE, TETRAETHYLENE GLYCOL, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M.
Deposit date:2003-12-15
Release date:2004-09-16
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
1UU5
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BU of 1uu5 by Molmil
X-RAY CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMICOLA GRISEA CEL12A SOAKED WITH CELLOTETRAOSE
Descriptor: ACETATE ION, ENDO-BETA-1,4-GLUCANASE, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
Authors:Berglund, G.I, Shaw, A, Stahlberg, J, Kenne, L, Driguez, T.H, Mitchinson, C, Sandgren, M.
Deposit date:2003-12-15
Release date:2004-09-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal Complex Structures Reveal How Substrate is Bound in the -4 to the +2 Binding Sites of Humicola Grisea Cel12A
J.Mol.Biol., 342, 2004
1QUR
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BU of 1qur by Molmil
HUMAN ALPHA-THROMBIN IN COMPLEX WITH BIVALENT, BENZAMIDINE-BASED SYNTHETIC INHIBITOR
Descriptor: BIVALENT INHIBITOR (BZA-2 HIRULOG), HUMAN THROMBIN (ALPHA CHAIN), HUMAN THROMBIN (BETA CHAIN)
Authors:Renatus, M, Steinmetzer, T.
Deposit date:1999-07-02
Release date:1999-10-14
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and evaluation of novel bivalent thrombin inhibitors based on amidinophenylalanines.
Eur.J.Biochem., 265, 1999
9FM9
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BU of 9fm9 by Molmil
Aldehyde dehydrogenase
Descriptor: Aldehyde dehydrogenase, POTASSIUM ION
Authors:Lamers, M.H, Schada von Borzyskowski, L, Ren, M.
Deposit date:2024-06-05
Release date:2025-06-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Aldehyde dehydrogenase
To Be Published
9FLZ
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BU of 9flz by Molmil
Alcohol dehydrogenase
Descriptor: ZINC ION, alcohol dehydrogenase
Authors:Lamers, M.H, Schada von Borzyskowski, L, Ren, M.
Deposit date:2024-06-05
Release date:2025-06-11
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3 Å)
Cite:NAD-dependent dehydrogenase
To Be Published
5JU6
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BU of 5ju6 by Molmil
Structural and Functional Studies of Glycoside Hydrolase Family 3 beta-Glucosidase Cel3A from the Moderately Thermophilic Fungus Rasamsonia emersonii
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-glucosidase, ...
Authors:Gudmundsson, M, Sandgren, M, Karkehabadi, S.
Deposit date:2016-05-10
Release date:2016-07-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of the glycoside hydrolase family 3 beta-glucosidase Cel3A from the moderately thermophilic fungus Rasamsonia emersonii.
Acta Crystallogr D Struct Biol, 72, 2016
4CYE
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BU of 4cye by Molmil
Crystal structure of avian FAK FERM domain FAK31-405 at 3.2A
Descriptor: FOCAL ADHESION KINASE 1
Authors:Goni, G.M, Epifano, C, Boskovic, J, Camacho-Artacho, M, Zhou, J, Martin, M.T, Eck, M.J, Kremer, L, Graeter, F, Gervasio, F.L, Perez-Moreno, M, Lietha, D.
Deposit date:2014-04-10
Release date:2014-04-23
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Phosphatidylinositol 4,5-Bisphosphate Triggers Activation of Focal Adhesion Kinase by Inducing Clustering and Conformational Changes.
Proc.Natl.Acad.Sci.USA, 111, 2014
8RKS
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BU of 8rks by Molmil
Structure of VPS29-VPS35 bound to the LFa motif R21 of Fam21.
Descriptor: Vacuolar protein sorting-associated protein 29, Vacuolar protein sorting-associated protein 35, WASH complex subunit 2A
Authors:Romano-Moreno, M, Astorga-Simon, E.N, Rojas, A.L, Hierro, A.
Deposit date:2023-12-30
Release date:2024-04-24
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Retromer-mediated recruitment of the WASH complex involves discrete interactions between VPS35, VPS29, and FAM21.
Protein Sci., 33, 2024
4D7U
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BU of 4d7u by Molmil
The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa
Descriptor: COPPER (II) ION, ENDOGLUCANASE II, GLYCEROL
Authors:Borisova, A.S, Isaksen, T, Mathiesen, G, Sorlie, M, Sandgren, M, Eijsink, V.G.H, Dimarogona, M.
Deposit date:2014-11-27
Release date:2015-07-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity
J.Biol.Chem., 290, 2015
4D7V
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BU of 4d7v by Molmil
The structure of the catalytic domain of NcLPMO9C from the filamentous fungus Neurospora crassa
Descriptor: ACETATE ION, ENDOGLUCANASE II, GLYCEROL, ...
Authors:Borisova, A.S, Isaksen, T, Sandgren, M, Sorlie, M, Eijsink, V.G.H, Dimarogona, M.
Deposit date:2014-11-27
Release date:2015-07-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Functional Characterization of a Lytic Polysaccharide Monooxygenase with Broad Substrate Specificity
J.Biol.Chem., 290, 2015
6T8U
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BU of 6t8u by Molmil
Complement factor B in complex with 5-Bromo-3-chloro-N-(4,5-dihydro-1H-imidazol-2-yl)-7-methyl-1H-indol-4-amine
Descriptor: 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine, Complement factor B, SULFATE ION
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
4V69
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BU of 4v69 by Molmil
Ternary complex-bound E.coli 70S ribosome.
Descriptor: 16S rRNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Villa, E, Sengupta, J, Trabuco, L.G, LeBarron, J, Baxter, W.T, Shaikh, T.R, Grassucci, R.A, Nissen, P, Ehrenberg, M, Schulten, K, Frank, J.
Deposit date:2008-12-11
Release date:2014-07-09
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (6.7 Å)
Cite:Ribosome-induced changes in elongation factor Tu conformation control GTP hydrolysis
Proc.Natl.Acad.Sci.USA, 106, 2009
6T8V
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BU of 6t8v by Molmil
Complement factor B in complex with (S)-5,7-Dimethyl-4-((2-phenylpiperidin-1-yl)methyl)-1H-indole
Descriptor: 4-[(2~{S})-1-[(5,7-dimethyl-1~{H}-indol-4-yl)methyl]piperidin-2-yl]benzoic acid, Complement factor B, SULFATE ION, ...
Authors:Mainolfi, N, Ehara, T, Karki, R.G, Anderson, K, Mac Sweeney, A, Wiesmann, C, Adams, C, Mainolfi, N, Liao, S.-M, Argikar, U.A, Jendza, K, Zhang, C, Powers, J, Klosowski, D.W, Crowley, M, Kawanami, T, Ding, J, April, M, Forster, C, Serrano-Wu, M, Capparelli, M, Ramqaj, R, Solovay, C, Cumin, F, Smith, T.M, Ferrara, L, Lee, W, Long, D, Prentiss, M, De Erkenez, A, Yang, L, Fang, L, Sellner, H, Sirockin, F, Valeur, E, Erbel, P, Ramage, P, Gerhartz, B, Schubart, A, Flohr, S, Gradoux, N, Feifel, R, Vogg, B, Wiesmann, C, Maibaum, J, Eder, J, Sedrani, R, Harrison, R.A, Mogi, M, Jaffee, B.D, Adams, C.M.
Deposit date:2019-10-25
Release date:2020-03-04
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Discovery of 4-((2S,4S)-4-Ethoxy-1-((5-methoxy-7-methyl-1H-indol-4-yl)methyl)piperidin-2-yl)benzoic Acid (LNP023), a Factor B Inhibitor Specifically Designed To Be Applicable to Treating a Diverse Array of Complement Mediated Diseases.
J.Med.Chem., 63, 2020
6EXM
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BU of 6exm by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK202)
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, SODIUM ION, ...
Authors:Grundstrom, C, Begum, A, Hall, M, 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 (1.6 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUT
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BU of 6eut by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK67)
Descriptor: (3~{R})-8-cyclopropyl-7-[(4-methylnaphthalen-1-yl)methyl]-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, GLYCEROL, ISOPROPYL ALCOHOL, ...
Authors:Begum, A, Hall, M, Grundstrom, C, 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 (1.9 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUZ
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BU of 6euz by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK37)
Descriptor: (3~{R})-8-methoxy-7-(naphthalen-1-ylmethyl)-5-oxidanylidene-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ...
Authors:Begum, A, Hall, M, Grundstrom, C, 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 (1.95 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EXL
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BU of 6exl by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (MK206) - folded HTH motif
Descriptor: ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, 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:2024-11-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
6EUU
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BU of 6euu by Molmil
The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with a ring-fused 2-pyridone (KSK29)
Descriptor: (3~{R})-8-cyclopropyl-5-oxidanylidene-7-(quinolin-3-ylmethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyridine-3-carboxylic acid, ISOPROPYL ALCOHOL, Listeriolysin positive regulatory factor A, ...
Authors:Begum, A, Hall, M, Grundstrom, C, 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 (2.6 Å)
Cite:Structure-Based Design of Inhibitors Targeting PrfA, the Master Virulence Regulator of Listeria monocytogenes.
J. Med. Chem., 61, 2018
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
8RZL
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BU of 8rzl by Molmil
Sulfolobus acidocaldarius threads (0406) filament.
Descriptor: Sulfolobus acidocaldarius threads (0406) filament., alpha-D-mannopyranose, beta-D-glucopyranose-(1-4)-6-deoxy-6-sulfo-beta-D-glucopyranose-(1-3)-[alpha-D-mannopyranose-(1-4)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Isupov, M.N, Gaines, M, McLaren, M, Daum, B.
Deposit date:2024-02-12
Release date:2024-05-01
Last modified:2025-02-05
Method:ELECTRON MICROSCOPY (2.65 Å)
Cite:Towards a molecular picture of the archaeal cell surface.
Nat Commun, 15, 2024
4CSA
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BU of 4csa by Molmil
Crystal structure of the asymmetric human metapneumovirus M2-1 tetramer bound to a DNA 4-mer
Descriptor: 5'-D(*AP*GP*TP*TP*AP)-3', GLYCEROL, M2-1, ...
Authors:Leyrat, C, Renner, M, Harlos, K, Grimes, J.M.
Deposit date:2014-03-05
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Drastic Changes in Conformational Dynamics of the Antiterminator M2-1 Regulate Transcription Efficiency in Pneumovirinae.
Elife, 3, 2014
8GY6
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BU of 8gy6 by Molmil
Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
Descriptor: Gossypol, Non-structural protein 7, Non-structural protein 8, ...
Authors:Wang, W, Ren, M, Li, F.
Deposit date:2022-09-21
Release date:2023-11-01
Method:ELECTRON MICROSCOPY
Cite:Structure of SARS-CoV-2 RNA-dependent RNA polymerase with gossypol binding
To Be Published
9QK3
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BU of 9qk3 by Molmil
X-ray crystal structure of SlPYL1-Coumaric Acid complex
Descriptor: 4'-HYDROXYCINNAMIC ACID, DIMETHYL SULFOXIDE, SlPYL1-NIO
Authors:Rivera-Moreno, M, Merino-Gracia, J, Infantes, L, Albert, A.
Deposit date:2025-03-19
Release date:2025-07-02
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Natural modulators of abscisic acid Signaling: Insights into polyphenol-based antagonists and their role in ABA receptor regulation.
Plant Physiol Biochem., 227, 2025

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