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4AYO
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BU of 4ayo by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31
Descriptor: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, ...
Authors:Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYP
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BU of 4ayp by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with thiomannobioside
Descriptor: CALCIUM ION, MANNOSYL-OLIGOSACCHARIDE 1,2-ALPHA-MANNOSIDASE, SODIUM ION, ...
Authors:Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (0.85 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
4AYR
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BU of 4ayr by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with noeuromycin
Descriptor: (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, CALCIUM ION, ...
Authors:Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
1E6M
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BU of 1e6m by Molmil
TWO-COMPONENT SIGNAL TRANSDUCTION SYSTEM D57A MUTANT OF CHEY
Descriptor: CHEMOTAXIS PROTEIN CHEY
Authors:Sola, M, Lopez-Hernandez, E, Cronet, P, Lacroix, E, Serrano, L, Coll, M, Parraga, A.
Deposit date:2000-08-18
Release date:2000-09-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Towards understanding a molecular switch mechanism: thermodynamic and crystallographic studies of the signal transduction protein CheY.
J.Mol.Biol., 303, 2000
5AJP
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BU of 5ajp by Molmil
Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ...
Authors:Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJN
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BU of 5ajn by Molmil
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ...
Authors:Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
5AJO
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BU of 5ajo by Molmil
Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13
Descriptor: 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ...
Authors:Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R.
Deposit date:2015-02-26
Release date:2015-03-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
1E6L
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BU of 1e6l by Molmil
Two-component signal transduction system D13A mutant of CheY
Descriptor: Chemotaxis protein CheY
Authors:Sola, M, Lopez-Hernandez, E, Cronet, P, Lacroix, E, Serrano, L, Coll, M, Parraga, A.
Deposit date:2000-08-18
Release date:2001-03-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Towards understanding a molecular switch mechanism: thermodynamic and crystallographic studies of the signal transduction protein CheY.
J.Mol.Biol., 303, 2000
4AYQ
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BU of 4ayq by Molmil
Structure of The GH47 processing alpha-1,2-mannosidase from Caulobacter strain K31 in complex with mannoimidazole
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Thompson, A.J, Dabin, J, Iglesias-Fernandez, J, Iglesias-Fernandez, A, Dinev, Z, Williams, S.J, Siriwardena, A, Moreland, C, Hu, T.C, Smith, D.K, Gilbert, H.J, Rovira, C, Davies, G.J.
Deposit date:2012-06-21
Release date:2013-01-30
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:The Reaction Coordinate of a Bacterial Gh47 Alpha-Mannosidase: A Combined Quantum Mechanical and Structural Approach.
Angew.Chem.Int.Ed.Engl., 51, 2012
8TNV
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BU of 8tnv by Molmil
Hemocyanin Functional Unit CCHB-g of Concholepas concholepas
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Munoz, S, Vallejos-Baccelliere, G, Manubens, A, Salazar, M, Nascimento, A.F.Z, Ambrosio, A.L.B, Becker, M.I, Guixe, V, Castro-Fernandez, V.
Deposit date:2023-08-02
Release date:2024-04-10
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural insights into a functional unit from an immunogenic mollusk hemocyanin.
Structure, 32, 2024
5LK0
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BU of 5lk0 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 100 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, SODIUM ION
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
7R8Z
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BU of 7r8z by Molmil
Ancestral protein AncEn of Phosphomethylpyrimidine kinases family
Descriptor: BETA-MERCAPTOETHANOL, D(-)-TARTARIC ACID, Phosphomethylpyrimidine Kinase
Authors:Munoz, S, Fuentes-Ugarte, N, Maturana, P, Gonzalez-Ordenes, F, Cea, P, Castro-Fernandez, V.
Deposit date:2021-06-27
Release date:2022-06-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ancestral protein AncEn of Phosphomethylpyrimidine Kinases family
To Be Published
5LK1
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BU of 5lk1 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 200 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LJX
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BU of 5ljx by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 600 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LK2
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BU of 5lk2 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 300 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
6TL0
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BU of 6tl0 by Molmil
Solution structure and 1H, 13C and 15N chemical shift assignments for the complex of VPS29 with VARP 687-747
Descriptor: Ankyrin repeat domain-containing protein 27, Vacuolar protein sorting-associated protein 29, ZINC ION
Authors:Owen, D.J, Neuhaus, D, Yang, J.-C, Crawley-Snowdon, H.
Deposit date:2019-11-29
Release date:2020-10-21
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Mechanism and evolution of the Zn-fingernail required for interaction of VARP with VPS29.
Nat Commun, 11, 2020
5LJY
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BU of 5ljy by Molmil
Structure of hantavirus envelope glycoprotein Gc in complex with scFv A5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, COBALT HEXAMMINE(III), Envelopment polyprotein, ...
Authors:Guardado-Calvo, P, Stettner, E, Jeffers, S.A, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LJZ
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BU of 5ljz by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
5LK3
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BU of 5lk3 by Molmil
Structure of hantavirus envelope glycoprotein Gc in postfusion conformation in presence of 500 mM KCL
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, POTASSIUM ION, ...
Authors:Guardado-Calvo, P, Rey, F.A.
Deposit date:2016-07-20
Release date:2016-09-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Mechanistic Insight into Bunyavirus-Induced Membrane Fusion from Structure-Function Analyses of the Hantavirus Envelope Glycoprotein Gc.
Plos Pathog., 12, 2016
7L07
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BU of 7l07 by Molmil
Last common ancestor of HMPPK and PLK/HMPPK vitamin kinases
Descriptor: ALUMINUM FLUORIDE, Ancestral Protein AncC
Authors:Gonzalez-Ordenes, F, Maturana, P, Herrera-Morande, A, Araya, G, Arizabalos, S, Castro-Fernandez, V.
Deposit date:2020-12-11
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure and molecular dynamics simulations of a promiscuous ancestor reveal residues and an epistatic interaction involved in substrate binding and catalysis in the ATP-dependent vitamin kinase family members.
Protein Sci., 30, 2021
8A3T
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BU of 8a3t by Molmil
S. cerevisiae APC/C-Cdh1 complex
Descriptor: Anaphase-promoting complex subunit 1, Anaphase-promoting complex subunit 11, Anaphase-promoting complex subunit 2, ...
Authors:Barford, D, Vazquez-Fernandez, E, Zhang, Z, Yang, J.
Deposit date:2022-06-09
Release date:2022-08-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Cryo-EM structure of the S. cerevisiae APC/C-Cdh1 complex
To Be Published
7Q4V
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BU of 7q4v by Molmil
Electron bifurcating hydrogenase - HydABC from A. woodii
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Katsyv, A, Kumar, A, Saura, P, Poeverlein, M.C, Freibert, S.A, Stripp, S, Jain, S, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
Deposit date:2021-11-02
Release date:2023-02-22
Last modified:2023-03-29
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
7Q4W
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BU of 7q4w by Molmil
CryoEM structure of electron bifurcating Fe-Fe hydrogenase HydABC complex A. woodii in the oxidised state
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Kumar, A, Saura, P, Poeverlein, M.C, Gamiz-Hernandez, A.P, Kaila, V.R.I, Mueller, V, Schuller, J.M.
Deposit date:2021-11-02
Release date:2023-02-15
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.78 Å)
Cite:Molecular Basis of the Electron Bifurcation Mechanism in the [FeFe]-Hydrogenase Complex HydABC.
J.Am.Chem.Soc., 145, 2023
6GVL
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BU of 6gvl by Molmil
Second pair of Fibronectin type III domains of integrin beta4 bound to the bullous pemphigoid antigen BP230 (BPAG1e)
Descriptor: Dystonin, Integrin beta-4
Authors:Manso, J.A, Gomez-Hernandez, M, Alonso-Garcia, N, de Pereda, J.M.
Deposit date:2018-06-21
Release date:2019-03-20
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Integrin alpha 6 beta 4 Recognition of a Linear Motif of Bullous Pemphigoid Antigen BP230 Controls Its Recruitment to Hemidesmosomes.
Structure, 27, 2019
1XE4
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BU of 1xe4 by Molmil
Crystal Structure of Weissella viridescens FemX (K36M) Mutant
Descriptor: FemX, MAGNESIUM ION
Authors:Biarrotte-Sorin, S, Maillard, A.P, Arthur, M, Mayer, C.
Deposit date:2004-09-09
Release date:2005-05-31
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure-Based Site-Directed Mutagenesis of the UDP-MurNAc-Pentapeptide-Binding Cavity of the FemX Alanyl Transferase from Weissella viridescens
J.Bacteriol., 187, 2005

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