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6Z0L
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BU of 6z0l by Molmil
Het-N2 - De novo designed three-helix heterodimer with Cysteine at the N2 position of the alpha-helix
Descriptor: CADMIUM ION, Cys-N2 Strand, Positive Strand, ...
Authors:McEwen, A.G, Poussin-Courmontagne, P, Naudin, E.A, DeGrado, W.F, Torbeev, V.
Deposit date:2020-05-09
Release date:2021-03-17
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Acyl Transfer Catalytic Activity in De Novo Designed Protein with N-Terminus of alpha-Helix As Oxyanion-Binding Site.
J.Am.Chem.Soc., 143, 2021
6ZDU
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BU of 6zdu by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: C,D, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.45 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZD2
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BU of 6zd2 by Molmil
Structure of apo telomerase from Candida Tropicalis truncated from C-terminal domain
Descriptor: SODIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDQ
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BU of 6zdq by Molmil
Structure of telomerase from Candida albicans in complexe with TWJ fragment of telomeric RNA
Descriptor: RNA, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZD1
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BU of 6zd1 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZDP
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BU of 6zdp by Molmil
Structure of telomerase from Candida Tropicalis in complexe with TWJ fragment of telomeric RNA
Descriptor: Chains: B, POTASSIUM ION, Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-15
Release date:2021-04-28
Last modified:2021-05-12
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
6ZD6
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BU of 6zd6 by Molmil
Structure of apo telomerase from Candida Tropicalis
Descriptor: Telomerase reverse transcriptase
Authors:Zhai, L, Rety, S, Chen, W.F, Auguin, D, Xi, X.G.
Deposit date:2020-06-13
Release date:2021-04-28
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:Crystal structures of N-terminally truncated telomerase reverse transcriptase from fungi‡.
Nucleic Acids Res., 49, 2021
2OW4
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BU of 2ow4 by Molmil
Crystal structure of a lectin from Canavalia maritima seeds (ConM) in complex with man1-2man-OMe
Descriptor: CALCIUM ION, Canavalia maritima lectin, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.M, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
Deposit date:2007-02-15
Release date:2007-10-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
8TNB
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BU of 8tnb by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo mefuparib
Descriptor: 5-fluoro-2-{4-[(methylamino)methyl]phenyl}-1-benzofuran-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TNC
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BU of 8tnc by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo niraparib
Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, De novo designed protein
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
2OVU
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BU of 2ovu by Molmil
Crystal structure of a lectin from Canavalia gladiata (CGL) in complex with man1-2man-OMe
Descriptor: CALCIUM ION, Canavalia gladiata lectin, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, de Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
Deposit date:2007-02-15
Release date:2007-10-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
8TN1
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BU of 8tn1 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - apo
Descriptor: De novo designed 4 helix bundles, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TND
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BU of 8tnd by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo veliparib
Descriptor: (2R)-2-(7-carbamoyl-1H-benzimidazol-2-yl)-2-methylpyrrolidinium, De novo designed protein, SULFATE ION
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
8TN6
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BU of 8tn6 by Molmil
De novo designed protein binds poly ADP ribose polymerase inhibitors (PARPi) - holo rucaparib
Descriptor: De novo designed protein, Rucaparib
Authors:Lu, L, DeGrado, W.F.
Deposit date:2023-08-01
Release date:2024-04-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:De novo design of drug-binding proteins with predictable binding energy and specificity.
Science, 384, 2024
7ADA
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BU of 7ada by Molmil
Crystal structure of helicase Pif1 from Thermus oshimai mutant Q164C-E409C
Descriptor: PIF1 helicase
Authors:Dai, Y.X, Chen, W.F, Teng, F.Y, Liu, N.N, Hou, X.M, Dou, S.X, Rety, S, Xi, X.G.
Deposit date:2020-09-14
Release date:2021-04-07
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Structural and functional studies of SF1B Pif1 from Thermus oshimai reveal dimerization-induced helicase inhibition.
Nucleic Acids Res., 49, 2021
5EZ4
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BU of 5ez4 by Molmil
2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Betaine aldehyde dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Halavaty, A.S, Minasov, G, Chen, C, Joo, J.C, Yakunin, A.F, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2015-11-26
Release date:2015-12-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:2.11 Angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betB) P449M/Y450L double mutant from Staphylococcus aureus in complex with NAD+ and BME-modified Cys289
To Be Published
8U5O
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BU of 8u5o by Molmil
The structure of the catalytic domain of NanI sialdase in complex with Neu5Gc
Descriptor: CALCIUM ION, Exo-alpha-sialidase, N-glycolyl-alpha-neuraminic acid, ...
Authors:Medley, B.J, Low, K.E, Garber, J.M, Gray, T.E, Liu, L, Klassen, L, Fordwour, O.B, Inglis, G.D, Boons, G.J, Zandberg, W.F, Abbott, W.D, Boraston, A.B.
Deposit date:2023-09-12
Release date:2024-09-04
Last modified:2024-09-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A "terminal" case of glycan catabolism: structural and enzymatic characterization of the sialidases of Clostridium perfringens.
J.Biol.Chem., 2024
7A8R
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BU of 7a8r by Molmil
Structure of RecQL from Bos taurus
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase, MAGNESIUM ION, ...
Authors:Rety, S, Chen, W.F, Xi, X.G.
Deposit date:2020-08-30
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Endogenous Bos taurus RECQL is predominantly monomeric and more active than oligomers.
Cell Rep, 36, 2021
2P2K
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BU of 2p2k by Molmil
Crystal structure of a lectin from Canavalia gladiata seeds (CGL) in complex with man1-4man-OMe
Descriptor: CALCIUM ION, Canavalia gladiata lectin, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, Souza, E.P, Rocha, B.A.M, Benevides, G.B, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
Deposit date:2007-03-07
Release date:2007-10-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins.
J.Struct.Biol., 160, 2007
8HR0
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BU of 8hr0 by Molmil
The complex structure of COPII coat with HCoV-OC43 DD sorting motif
Descriptor: HCoV-OC43, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
Authors:Ma, W.F, Nan, Y.N, Yang, M.R, Li, Y.Q.
Deposit date:2022-12-14
Release date:2023-12-20
Method:X-RAY DIFFRACTION (3.34 Å)
Cite:Tighter ER retention of SARS-CoV-2 Omicron spike caused by a constellation of folding disruptive mutations
To Be Published
2CY6
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BU of 2cy6 by Molmil
Crystal structure of ConM in complex with trehalose and maltose
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Cavada, B.S, Azevedo Jr, W.F, Delatorre, P, Rocha, B.A.M, Souza, E.P, Gadelha, C.A.A.
Deposit date:2005-07-05
Release date:2006-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins
J.Struct.Biol., 154, 2006
2CYF
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BU of 2cyf by Molmil
The Crystal Structure of Canavalia Maritima Lectin (ConM) in Complex with Trehalose and Maltose
Descriptor: CALCIUM ION, Lectin, MANGANESE (II) ION, ...
Authors:Delatorre, P, Rocha, B.A.M, Sousa, E.P, Gadelha, C.A.A, Azevedo Jr, W.F, Cavada, B.S.
Deposit date:2005-07-06
Release date:2006-06-13
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of a lectin from Canavalia maritima (ConM) in complex with trehalose and maltose reveals relevant mutation in ConA-like lectins
J.Struct.Biol., 154, 2006
2DFT
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BU of 2dft by Molmil
Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and Mg at 2.8 angstrons of resolution
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, MAGNESIUM ION, ...
Authors:Dias, M.V, Faim, L.M, Vasconcelos, I.B, de Oliveira, J.S, Basso, L.A, Santos, D.S, de Azevedo, W.F.
Deposit date:2006-03-03
Release date:2007-01-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
ACTA CRYSTALLOGR.,SECT.F, 63, 2007
2DFN
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BU of 2dfn by Molmil
Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and shikimate at 1.9 angstrons of resolution
Descriptor: (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ...
Authors:Dias, M.V, Faim, L.M, Vasconcelos, I.B, de Oliveira, J.S, Basso, L.A, Santos, D.S, de Azevedo, W.F.
Deposit date:2006-03-03
Release date:2006-09-03
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Effects of the magnesium and chloride ions and shikimate on the structure of shikimate kinase from Mycobacterium tuberculosis
ACTA CRYSTALLOGR.,SECT.F, 63, 2007
2EF6
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BU of 2ef6 by Molmil
Canavalia gladiata lectin complexed with Man1-3Man-OMe
Descriptor: CALCIUM ION, Concanavalin A, MANGANESE (II) ION, ...
Authors:Moreno, F.B.M.B, Bezerra, G.A, Oliveira, T.M, de Souza, E.P, da Rocha, B.A.M, Benevides, R.G, Delatorre, P, Cavada, B.S, de Azevedo Jr, W.F.
Deposit date:2007-02-21
Release date:2007-10-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of Canavalia maritima and Canavalia gladiata lectins complexed with different dimannosides: New insights into the understanding of the structure-biological activity relationship in legume lectins
J.Struct.Biol., 160, 2007

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PDB entries from 2024-10-16

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