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7BIG
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BU of 7big by Molmil
Crystal structure of v13WRAP-T, a 7-bladed designer protein
Descriptor: CHLORIDE ION, v13WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIE
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BU of 7bie by Molmil
Crystal structure of nvWrap-T, a 7-bladed symmetric propeller
Descriptor: CITRIC ACID, nvWRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BID
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BU of 7bid by Molmil
Crystal structure of v31WRAP-T, a 7-bladed designer protein
Descriptor: v31WRAP-T
Authors:Laier, I, Mylemans, B, Lee, X.Y, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
7BIF
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BU of 7bif by Molmil
Crystal structure of v22WRAP-T, a 7-bladed designer protein
Descriptor: v22WRAP-T
Authors:Lee, X.Y, Mylemans, B, Laier, I, Voet, A.R.D.
Deposit date:2021-01-12
Release date:2021-09-22
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and stability of the designer protein WRAP-T and its permutants.
Sci Rep, 11, 2021
6PKF
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BU of 6pkf by Molmil
Myocilin OLF mutant N428E/D478K
Descriptor: GLYCEROL, Myocilin
Authors:Lieberman, R.L, Hill, S.E.
Deposit date:2019-06-29
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.484 Å)
Cite:Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
6PE3
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BU of 6pe3 by Molmil
Structure of YcaO enzyme from Methanocaldococcus jannaschii in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, Uncharacterized protein MJ1094
Authors:Dong, S.-H, Nair, S.K.
Deposit date:2019-06-19
Release date:2020-01-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Mechanistic Basis for Ribosomal Peptide Backbone Modifications.
Acs Cent.Sci., 5, 2019
7A70
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BU of 7a70 by Molmil
HEW lysozyme in complex with Ti(OH)4
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme, ...
Authors:Calderone, V, Gigli, L, Ravera, E, Luchinat, C.
Deposit date:2020-08-27
Release date:2021-01-13
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:On the Mechanism of Bioinspired Formation of Inorganic Oxides: Structural Evidence of the Electrostatic Nature of the Interaction between a Mononuclear Inorganic Precursor and Lysozyme.
Biomolecules, 11, 2020
6PKD
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BU of 6pkd by Molmil
Myocilin OLF mutant N428D/D478H
Descriptor: Myocilin, SODIUM ION
Authors:Lieberman, R.L, Hill, S.E.
Deposit date:2019-06-29
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
6QA7
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BU of 6qa7 by Molmil
Glycogen Phosphorylase b in complex with 29
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
8EC3
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BU of 8ec3 by Molmil
The crystal structure of the complement inhibitory domain of Borrelia hermsii FbpC.
Descriptor: Fibronectin-binding protein, MAGNESIUM ION
Authors:Booth, C.E, Garcia, B.L.
Deposit date:2022-09-01
Release date:2023-06-07
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Conformational dynamics of complement protease C1r inhibitor proteins from Lyme disease- and relapsing fever-causing spirochetes.
J.Biol.Chem., 299, 2023
6QA6
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BU of 6qa6 by Molmil
Glycogen Phosphorylase b in complex with 30
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-2-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
8DND
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BU of 8dnd by Molmil
Crystal structure of Bothrops pirajai Piratoxin-I (PrTX-I) and synthetic inhibitor Varespladib (LY315920)
Descriptor: ({3-[amino(oxo)acetyl]-1-benzyl-2-ethyl-1H-indol-4-yl}oxy)acetic acid, Basic phospholipase A2 homolog piratoxin-1, SULFATE ION
Authors:Salvador, G.H.M, Fontes, M.R.M.
Deposit date:2022-07-11
Release date:2023-08-02
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.018 Å)
Cite:Structural basis of the myotoxic inhibition of the Bothrops pirajai PrTX-I by the synthetic varespladib.
Biochimie, 207, 2023
6QA8
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BU of 6qa8 by Molmil
Glycogen Phosphorylase b in complex with 28
Descriptor: (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-8,9,10-tris(oxidanyl)-2-phenyl-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ...
Authors:Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D.
Deposit date:2018-12-18
Release date:2019-06-26
Last modified:2019-07-24
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography.
J.Med.Chem., 62, 2019
6QE6
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BU of 6qe6 by Molmil
Structure of M. capricolum TrmK in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: S-ADENOSYL-L-HOMOCYSTEINE, tRNA (Adenine(22)-N(1))-methyltransferase
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
6QE5
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BU of 6qe5 by Molmil
Structure of E.coli RlmJ in complex with the natural cofactor product S-adenosyl-homocysteine (SAH)
Descriptor: Ribosomal RNA large subunit methyltransferase J, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-04
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
7B2B
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BU of 7b2b by Molmil
Solution structure of a non-covalent extended docking domain complex of the Pax NRPS: PaxA T1-CDD/PaxB NDD
Descriptor: Amino acid adenylation domain-containing protein, Peptide synthetase PaxA
Authors:Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2020-11-26
Release date:2021-06-16
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
7B2F
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BU of 7b2f by Molmil
Solution structure of the Pax NRPS docking domain PaxB NDD
Descriptor: Peptide synthetase XpsB (Modular protein)
Authors:Watzel, J, Sarawi, S, Duchardt-Ferner, E, Bode, H.B, Woehnert, J.
Deposit date:2020-11-26
Release date:2021-06-09
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Cooperation between a T Domain and a Minimal C-Terminal Docking Domain to Enable Specific Assembly in a Multiprotein NRPS.
Angew.Chem.Int.Ed.Engl., 60, 2021
6QE0
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BU of 6qe0 by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA2)
Descriptor: (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[[9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]ethyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.394 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
7CGC
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BU of 7cgc by Molmil
Silver-bound E. coli Malate dehydrogenase (C113 and C251)
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.548 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
8F3A
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BU of 8f3a by Molmil
HIV-1 gp41 coiled-coil pocket IQN17
Descriptor: ACETIC ACID, CHLORIDE ION, IQN17
Authors:Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S.
Deposit date:2022-11-09
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
8F3B
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BU of 8f3b by Molmil
HIV-1 gp41 coiled-coil pocket IQN22
Descriptor: IQN22
Authors:Bruun, T.U.J, Tang, S, Fernandez, D, Kim, P.S.
Deposit date:2022-11-09
Release date:2023-03-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-guided stabilization improves the ability of the HIV-1 gp41 hydrophobic pocket to elicit neutralizing antibodies.
J.Biol.Chem., 299, 2023
6QDX
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BU of 6qdx by Molmil
Structure of E.coli RlmJ in complex with a bisubstrate analogue (BA4)
Descriptor: (2~{S})-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[[9-[(2~{S},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-6-yl]amino]propyl]amino]-2-azanyl-butanoic acid, Ribosomal RNA large subunit methyltransferase J
Authors:Oerum, S, Catala, M, Atdjian, C, Brachet, F, Ponchon, L, Barraud, P, Iannazzo, L, Droogmans, L, Braud, E, Etheve-Quelquejeu, M, Tisne, C.
Deposit date:2019-01-03
Release date:2019-03-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Bisubstrate analogues as structural tools to investigate m6A methyltransferase active sites.
Rna Biol., 16, 2019
7CGD
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BU of 7cgd by Molmil
Silver-bound E.coli malate dehydrogenase
Descriptor: Malate dehydrogenase, SILVER ION
Authors:Wang, H, Wang, M, Sun, H.
Deposit date:2020-07-01
Release date:2020-09-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Atomic differentiation of silver binding preference in protein targets: Escherichia coli malate dehydrogenase as a paradigm.
Chem Sci, 11, 2020
7CGV
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BU of 7cgv by Molmil
Full consensus L-threonine 3-dehydrogenase, FcTDH-IIYM (NAD+ bound form)
Descriptor: Artificial L-threonine 3-dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Motoyama, T, Hiramatsu, N, Asano, Y, Nakano, S, Ito, S.
Deposit date:2020-07-02
Release date:2020-10-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Protein Sequence Selection Method That Enables Full Consensus Design of Artificial l-Threonine 3-Dehydrogenases with Unique Enzymatic Properties.
Biochemistry, 59, 2020
6QUR
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BU of 6qur by Molmil
Mapping the allosteric communication network of aminodeoxychorismate synthase
Descriptor: Glutaminase
Authors:Semmelmann, F, Straub, K, Rajendran, C, Nazet, J.
Deposit date:2019-02-28
Release date:2019-06-05
Last modified:2019-09-25
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Mapping the Allosteric Communication Network of Aminodeoxychorismate Synthase.
J.Mol.Biol., 431, 2019

222624

数据于2024-07-17公开中

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