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5YJS
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BU of 5yjs by Molmil
Structure of vicilin from Capsicum annuum
Descriptor: 2-HYDROXYBENZOIC ACID, CHLORIDE ION, COPPER (I) ION, ...
Authors:Shikhi, M, Nair, D.T, Salunke, D.M.
Deposit date:2017-10-11
Release date:2018-10-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Structure-guided identification of function: role ofCapsicum annuumvicilin during oxidative stress.
Biochem. J., 475, 2018
1G1K
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BU of 1g1k by Molmil
COHESIN MODULE FROM THE CELLULOSOME OF CLOSTRIDIUM CELLULOLYTICUM
Descriptor: SCAFFOLDING PROTEIN
Authors:Spinelli, S, Fierobe, H.-P, Belaich, A, Belaich, J.-P, Henrissat, B, Cambillau, C.
Deposit date:2000-10-12
Release date:2000-11-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a cohesin module from Clostridium cellulolyticum: implications for dockerin recognition.
J.Mol.Biol., 304, 2000
6TAF
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BU of 6taf by Molmil
Bd0314 DslA E154Q mutant
Descriptor: ACETATE ION, SLT domain-containing protein, SULFATE ION
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2019-10-29
Release date:2020-07-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
4YEG
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BU of 4yeg by Molmil
Characterisation of Polyphosphate Kinase 2 from the Intracellular Pathogen Francisella tularensis
Descriptor: Polyphosphate kinase 2
Authors:Parnell, A.E, Roach, P.L.
Deposit date:2015-02-24
Release date:2015-12-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Biochemical and structural characterization of polyphosphate kinase 2 from the intracellular pathogen Francisella tularensis.
Biosci.Rep., 36, 2016
5GAP
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BU of 5gap by Molmil
Body region of the U4/U6.U5 tri-snRNP
Descriptor: 13 kDa ribonucleoprotein-associated protein, Pre-mRNA-processing factor 31, Pre-mRNA-splicing factor 6, ...
Authors:Nguyen, T.H.D, Galej, W.P, Oubridge, C, Bai, X.C, Newman, A, Scheres, S, Nagai, K.
Deposit date:2015-12-15
Release date:2016-01-27
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Cryo-EM structure of the yeast U4/U6.U5 tri-snRNP at 3.7 angstrom resolution.
Nature, 530, 2016
4CUN
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BU of 4cun by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain in complex with (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione
Descriptor: (9aS)-2-amino-9a-methyl-8,9,9a,10-tetrahydrobenzo[g]pteridine-4,6(3H,7H)-dione, ACETATE ION, ARGININE, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-20
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
4CVG
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BU of 4cvg by Molmil
Structure of bovine endothelial nitric oxide synthase heme domain (H4B-free) supplemented with 50uM Zn acetate and with poor binding of 6-acetyl-2-amino-7,7-dimethyl-7,8-dihydropteridin-4(3H)-one.
Descriptor: ACETATE ION, ARGININE, GLYCEROL, ...
Authors:Chreifi, G, Li, H, Poulos, T.L.
Deposit date:2014-03-25
Release date:2014-05-28
Last modified:2014-07-16
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Biochemistry, 53, 2014
7LGP
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BU of 7lgp by Molmil
DapE enzyme from Shigella flexneri
Descriptor: CHLORIDE ION, SODIUM ION, Succinyl-diaminopimelate desuccinylase, ...
Authors:Osipiuk, J, Endres, M, Becker, D.P, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-01-20
Release date:2021-01-27
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:DapE enzyme from Shigella flexneri
To Be Published
6ZXL
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BU of 6zxl by Molmil
Fully-loaded anthrax lethal toxin in its heptameric pre-pore state and PA7LF(2+1A) arrangement
Descriptor: Lethal factor, Protective antigen
Authors:Quentin, D, Antoni, C, Gatsogiannis, C, Raunser, S.
Deposit date:2020-07-29
Release date:2020-09-02
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Cryo-EM structure of the fully-loaded asymmetric anthrax lethal toxin in its heptameric pre-pore state.
Plos Pathog., 16, 2020
5N3C
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BU of 5n3c by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule Thiophene-3-Carboximidamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, [azanyl(thiophen-3-yl)methylidene]azanium, cAMP dependent protein kinase inhibitor alpha-like protein, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.772 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5N3Q
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BU of 5n3q by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-Aminobenzamide
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-aminobenzamide, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
6TPT
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BU of 6tpt by Molmil
Crystal structures of FNIII domain three and four of the human leucocyte common antigen-related protein, LAR
Descriptor: Receptor-type tyrosine-protein phosphatase F
Authors:Vilstrup, J.P, Thirup, S.S, Simonsen, A, Birkefeldt, T, Strandbygaard, D.
Deposit date:2019-12-14
Release date:2020-05-13
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal and solution structures of fragments of the human leucocyte common antigen-related protein.
Acta Crystallogr D Struct Biol, 76, 2020
3K9O
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BU of 3k9o by Molmil
The crystal structure of E2-25K and UBB+1 complex
Descriptor: Ubiquitin, Ubiquitin-conjugating enzyme E2 K
Authors:Kang, G.B, Ko, S, Song, S.M, Lee, W, Eom, S.H.
Deposit date:2009-10-16
Release date:2010-09-08
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of E2-25K/UBB+1 Interaction for Neurotoxicity of Alzheimer Disease by Proteasome Inhibition
To be Published
5N33
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BU of 5n33 by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule 3-amino-5-(trifluoromethyl)-1H-pyridin-2-one
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 3-azanyl-5-(trifluoromethyl)-1~{H}-pyridin-2-one, DIMETHYL SULFOXIDE, ...
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.434 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5N3H
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BU of 5n3h by Molmil
cAMP-dependent Protein Kinase A from Cricetulus griseus in complex with fragment like molecule pyridine-3-carboxamide
Descriptor: DIMETHYL SULFOXIDE, NICOTINAMIDE, cAMP-dependent protein kinase catalytic subunit alpha
Authors:Siefker, C, Heine, A, Klebe, G.
Deposit date:2017-02-08
Release date:2018-02-28
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts.
Angew.Chem.Int.Ed.Engl., 2020
5FDG
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BU of 5fdg by Molmil
Endonuclease inhibitor 3 bound to influenza strain H1N1 polymerase acidic subunit N-terminal region at pH 7.0
Descriptor: (2Z)-4-[1-benzyl-4-(4-chlorobenzyl)piperidin-4-yl]-2-hydroxy-4-oxobut-2-enoic acid, MANGANESE (II) ION, Polymerase acidic protein, ...
Authors:Fudo, S, Yamamoto, N, Nukaga, M, Odagiri, T, Tashiro, M, Hoshino, T.
Deposit date:2015-12-16
Release date:2015-12-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Two Distinctive Binding Modes of Endonuclease Inhibitors to the N-Terminal Region of Influenza Virus Polymerase Acidic Subunit
Biochemistry, 55, 2016
4YWM
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BU of 4ywm by Molmil
Pyrococcus furiosus MCM N-terminal domain beta-turn triple mutant pentameric ring
Descriptor: Cell division control protein 21, SULFATE ION, ZINC ION
Authors:Froelich, C.A, Enemark, E.J.
Deposit date:2015-03-20
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:MCM ring hexamerization is a prerequisite for DNA-binding.
Nucleic Acids Res., 43, 2015
2VWE
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BU of 2vwe by Molmil
Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralizing Antibody Fab Fragment
Descriptor: ANTI-VEGF-B MONOCLONAL ANTIBODY, VASCULAR ENDOTHELIAL GROWTH FACTOR B
Authors:Leonard, P, Scotney, P.D, Jabeen, T, Iyer, S, Fabri, L.J, Nash, A.D, Acharya, K.R.
Deposit date:2008-06-23
Release date:2008-11-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Crystal Structure of Vascular Endothelial Growth Factor-B in Complex with a Neutralising Antibody Fab Fragment.
J.Mol.Biol., 384, 2008
4X2A
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BU of 4x2a by Molmil
Crystal structure of mouse glyoxalase I complexed with baicalein
Descriptor: 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one, Lactoylglutathione lyase, ZINC ION
Authors:Zhang, H, Zhai, J, Zhang, L, Li, C, Zhao, Y, Hu, X.
Deposit date:2014-11-26
Release date:2015-09-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:In Vitro Inhibition of Glyoxalase І by Flavonoids: New Insights from Crystallographic Analysis.
Curr Top Med Chem, 16, 2016
2W4Y
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BU of 2w4y by Molmil
Caulobacter bacteriophage 5 - virus-like particle
Descriptor: ADENOSINE MONOPHOSPHATE, CALCIUM ION, CAULOBACTER 5 VIRUS-LIKE PARTICLE
Authors:Plevka, P, Kazaks, A, Dishlers, A, Liljas, L, Tars, K.
Deposit date:2008-12-02
Release date:2009-07-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The Structure of Bacteriophage Phicb5 Reveals a Role of the RNA Genome and Metal Ions in Particle Stability and Assembly.
J.Mol.Biol., 391, 2009
4X6G
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BU of 4x6g by Molmil
Full-length OxyR C199D from pseudomonas aeruginosa
Descriptor: GLYCEROL, HYDROGEN PEROXIDE, OxyR
Authors:Jo, I, Ha, N.C.
Deposit date:2014-12-08
Release date:2015-04-29
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural details of the OxyR peroxide-sensing mechanism
Proc.Natl.Acad.Sci.USA, 112, 2015
6TM6
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BU of 6tm6 by Molmil
MUC2 CysD1 domain
Descriptor: CALCIUM ION, Mucin-2
Authors:Khmelnitsky, L, Fass, D.
Deposit date:2019-12-03
Release date:2020-02-19
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Assembly Mechanism of Mucin and von Willebrand Factor Polymers.
Cell, 183, 2020
1YLA
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BU of 1yla by Molmil
Ubiquitin-conjugating enzyme E2-25 kDa (Huntington interacting protein 2)
Descriptor: Ubiquitin-conjugating enzyme E2-25 kDa
Authors:Choe, J, Avvakumov, G.V, Newman, E.M, Mackenzie, F, Kozieradzki, I, Bochkarev, A, Sundstrom, M, Arrowsmith, C, Edwards, A, Dhe-paganon, S, Structural Genomics Consortium (SGC)
Deposit date:2005-01-19
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of E2-25K/UBB+1 interaction leading to proteasome inhibition and neurotoxicity
J.Biol.Chem., 285, 2010
6TA9
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BU of 6ta9 by Molmil
Bd0314 DslA wild-type form 1
Descriptor: SLT domain-containing protein, SULFATE ION
Authors:Lovering, A.L, Harding, C.J.
Deposit date:2019-10-29
Release date:2020-07-15
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.361 Å)
Cite:A lysozyme with altered substrate specificity facilitates prey cell exit by the periplasmic predator Bdellovibrio bacteriovorus.
Nat Commun, 11, 2020
2WVI
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BU of 2wvi by Molmil
Crystal Structure of the N-terminal Domain of BubR1
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, MITOTIC CHECKPOINT SERINE/THREONINE-PROTEIN KINASE BUB1 BETA, ...
Authors:D'Arcy, S, Davies, O.R, Blundell, T.L, Bolanos-Garcia, V.M.
Deposit date:2009-10-16
Release date:2010-03-09
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Defining the Molecular Basis of Bubr1 Kinetochore Interactions and Anaphase-Promoting Complex/Cyclosome (Apc/C)-Cdc20 Inhibition
J.Biol.Chem., 285, 2010

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