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8E55
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BU of 8e55 by Molmil
Design of Diverse Asymmetric Pockets in de novo Homo-oligomeric Proteins
Descriptor: SG135
Authors:Gerben, S, Borst, A.J, Baker, D.
Deposit date:2022-08-19
Release date:2023-01-25
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.85 Å)
Cite:Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
8E1E
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BU of 8e1e by Molmil
Scaffolding protein functional sites using deep learning
Descriptor: SG122_C3
Authors:Bera, A.K, Gerben, S, Baker, D.
Deposit date:2022-08-10
Release date:2023-08-16
Method:X-RAY DIFFRACTION (4.27 Å)
Cite:Design of Diverse Asymmetric Pockets in De Novo Homo-oligomeric Proteins.
Biochemistry, 62, 2023
3HI6
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BU of 3hi6 by Molmil
Crystal structure of intermediate affinity I domain of integrin LFA-1 with the Fab fragment of its antibody AL-57
Descriptor: Heavy chain of Fab fragment of AL-57 against alpha L I domain, Integrin alpha-L, MANGANESE (II) ION, ...
Authors:Zhang, H, Wang, J.
Deposit date:2009-05-19
Release date:2009-09-22
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis of activation-dependent binding of ligand-mimetic antibody AL-57 to integrin LFA-1.
Proc.Natl.Acad.Sci.USA, 106, 2009
1GGH
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BU of 1ggh by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ALA VARIANT.
Descriptor: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
Deposit date:2000-08-21
Release date:2000-08-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
1GGF
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BU of 1ggf by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, VARIANT HIS128ASN, COMPLEX WITH HYDROGEN PEROXIDE.
Descriptor: CATALASE HPII, HYDROGEN PEROXIDE, PROTOPORPHYRIN IX CONTAINING FE
Authors:Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
Deposit date:2000-08-21
Release date:2000-08-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
1GG9
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BU of 1gg9 by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, HIS128ASN VARIANT.
Descriptor: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
Deposit date:2000-08-11
Release date:2000-08-23
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
4V06
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BU of 4v06 by Molmil
Crystal structure of human tryptophan hydroxylase 2 (TPH2), catalytic domain
Descriptor: FE (III) ION, IMIDAZOLE, TRYPTOPHAN 5-HYDROXYLASE 2
Authors:Kopec, J, Oberholzer, A, Fitzpatrick, F, Newman, J, Tallant, C, Kiyani, W, Shrestha, L, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
Deposit date:2014-09-11
Release date:2014-10-15
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Crystal Structure of Human Tryptophane Hydroxylase 2 (Tph2), Catalytic Domain
To be Published
6M19
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BU of 6m19 by Molmil
Template lasso peptide C24 mutant W14F
Descriptor: lasso peptide
Authors:Liu, X.H, Liu, T, Ma, X.J, Yu, J.H, Yang, D.H, Ma, M.
Deposit date:2020-02-25
Release date:2021-03-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Rational generation of lasso peptides based on biosynthetic gene mutations and site-selective chemical modifications.
Chem Sci, 12, 2021
3QC4
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BU of 3qc4 by Molmil
PDK1 in complex with DFG-OUT inhibitor xxx
Descriptor: 1-(3,4-difluorobenzyl)-2-oxo-N-{(1R)-2-[(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)oxy]-1-phenylethyl}-1,2-dihydropyridine-3-carboxamide, 3-phosphoinositide-dependent protein kinase 1
Authors:Arndt, J.W.
Deposit date:2011-01-15
Release date:2011-04-20
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
3DXZ
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BU of 3dxz by Molmil
Crystal structure of EcTrmB in complex with SAH
Descriptor: 1,2-ETHANEDIOL, S-ADENOSYL-L-HOMOCYSTEINE, SULFATE ION, ...
Authors:Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
Deposit date:2008-07-25
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
3DXY
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BU of 3dxy by Molmil
Crystal structure of EcTrmB in complex with SAM
Descriptor: GLYCEROL, S-ADENOSYLMETHIONINE, SULFATE ION, ...
Authors:Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
Deposit date:2008-07-25
Release date:2009-05-19
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
3PN1
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BU of 3pn1 by Molmil
Novel Bacterial NAD+-dependent DNA Ligase Inhibitors with Broad Spectrum Potency and Antibacterial Efficacy In Vivo
Descriptor: 1-(2,4-dimethylbenzyl)-6-oxo-1,6-dihydropyridine-3-carboxamide, 2-(butylsulfanyl)adenosine, DNA ligase
Authors:Mills, S, Eakin, A, Buurman, E, Newman, J, Gao, N, Huynh, H, Johnson, K, Lahiri, S, Shapiro, A, Walkup, G, Wei, Y, Stokes, S.
Deposit date:2010-11-18
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Novel Bacterial NAD+-Dependent DNA Ligase Inhibitors with Broad-Spectrum Activity and Antibacterial Efficacy In Vivo.
Antimicrob.Agents Chemother., 55, 2011
3DB6
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BU of 3db6 by Molmil
Crystal structure of an activated (Thr->Asp) Polo-like kinase 1 (Plk1) catalytic domain in complex with Compound 902
Descriptor: 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea, Polo-like kinase 1
Authors:Elling, R.A, Fucini, R.V, Zhu, J, Barr, K.J, Romanowski, M.J.
Deposit date:2008-05-30
Release date:2008-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structure of the Brachydanio rerio Polo-like kinase 1 (Plk1) catalytic domain in complex with an extended inhibitor targeting the adaptive pocket of the enzyme.
Acta Crystallogr.,Sect.F, 64, 2008
3PWY
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BU of 3pwy by Molmil
Crystal structure of an extender (SPD28345)-modified human PDK1 complex 2
Descriptor: 3-phosphoinositide-dependent protein kinase 1, N-[2-({6-[(2-sulfanylethyl)amino]pyrimidin-4-yl}amino)ethyl]propanamide
Authors:Elling, R.A, Penny, D.M, Simmons, R.L, Erlanson, D.A, Romanowski, M.J.
Deposit date:2010-12-09
Release date:2011-04-20
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Discovery of a potent and highly selective PDK1 inhibitor via fragment-based drug discovery.
Bioorg.Med.Chem.Lett., 21, 2011
3DXX
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BU of 3dxx by Molmil
Crystal structure of EcTrmB
Descriptor: GLYCEROL, tRNA (guanine-N(7)-)-methyltransferase
Authors:Zhou, H.H, Liu, Q, Gao, Y.X, Teng, M.K, Niu, L.W.
Deposit date:2008-07-25
Release date:2009-05-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Monomeric tRNA (m(7)G46) methyltransferase from Escherichia coli presents a novel structure at the function-essential insertion
Proteins, 76, 2009
1GGK
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BU of 1ggk by Molmil
CRYSTAL STRUCTURE OF CATALASE HPII FROM ESCHERICHIA COLI, ASN201HIS VARIANT.
Descriptor: CATALASE HPII, PROTOPORPHYRIN IX CONTAINING FE
Authors:Melik-Adamyan, W.R, Bravo, J, Carpena, X, Switala, J, Mate, M.J, Fita, I, Loewen, P.C.
Deposit date:2000-08-21
Release date:2000-08-30
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substrate flow in catalases deduced from the crystal structures of active site variants of HPII from Escherichia coli.
Proteins, 44, 2001
4Z62
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BU of 4z62 by Molmil
The plant peptide hormone free receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine receptor 1
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
4Z64
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BU of 4z64 by Molmil
the plant peptide hormone receptor complex in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, ...
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.659 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
7N1W
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BU of 7n1w by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.33 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1Y
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BU of 7n1y by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1T
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BU of 7n1t by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
4Z63
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BU of 4z63 by Molmil
The plant peptide hormone receptor in arabidopsis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Phytosulfokine, Phytosulfokine receptor 1
Authors:Chai, J, Wang, J, Han, Z.
Deposit date:2015-04-03
Release date:2016-03-02
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.514 Å)
Cite:Allosteric receptor activation by the plant peptide hormone phytosulfokine
Nature, 525, 2015
7N1Q
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BU of 7n1q by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1U
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BU of 7n1u by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1X
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BU of 7n1x by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
Deposit date:2021-05-28
Release date:2021-07-07
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021

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数据于2024-11-06公开中

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