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3MP9
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BU of 3mp9 by Molmil
Structure of Streptococcal protein G B1 domain at pH 3.0
Descriptor: FORMIC ACID, Immunoglobulin G-binding protein G
Authors:Tomlinson, J.H, Green, V.L, Baker, P.J, Williamson, M.P.
Deposit date:2010-04-26
Release date:2011-02-23
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structural origins of pH-dependent chemical shifts in the B1 domain of protein G.
Proteins, 78, 2010
5IZ2
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BU of 5iz2 by Molmil
Crystal structure of the N. clavipes spidroin NTD at pH 6.5
Descriptor: Major ampullate spidroin 1A, Major ampullate spidroin 1A (Partial C-terminus)
Authors:Atkison, J.H, Olsen, S.K.
Deposit date:2016-03-24
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Crystal Structure of the Nephila clavipes Major Ampullate Spidroin 1A N-terminal Domain Reveals Plasticity at the Dimer Interface.
J.Biol.Chem., 291, 2016
2MZW
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BU of 2mzw by Molmil
Staphylococcus aureus FusB:EF-GC3 complex
Descriptor: Elongation factor G, Far1, ZINC ION
Authors:Tomlinson, J.H, Thompson, G.S, Kalverda, A.P, Zhuravleva, A, O'Neill, A.
Deposit date:2015-02-25
Release date:2016-01-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:A target-protection mechanism of antibiotic resistance at atomic resolution: insights into FusB-type fusidic acid resistance.
Sci Rep, 6, 2016
6DC6
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BU of 6dc6 by Molmil
Crystal structure of human ubiquitin activating enzyme E1 (Uba1) in complex with ubiquitin
Descriptor: MAGNESIUM ION, PYROPHOSPHATE 2-, Ubiquitin, ...
Authors:Lv, Z, Yuan, L, Williams, K.M, Atkison, J.H, Olsen, S.K.
Deposit date:2018-05-04
Release date:2018-10-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Crystal structure of a human ubiquitin E1-ubiquitin complex reveals conserved functional elements essential for activity.
J. Biol. Chem., 293, 2018
3TD5
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BU of 3td5 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala
Descriptor: CHLORIDE ION, Outer membrane protein omp38, peptide(L-Ala-gamma-D-Glu-m-DAP-D-Ala-D-Ala)
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD4
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BU of 3td4 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with diaminopimelate
Descriptor: 2,6-DIAMINOPIMELIC ACID, Outer membrane protein omp38
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
3TD3
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BU of 3td3 by Molmil
Crystal structure of OmpA-like domain from Acinetobacter baumannii in complex with glycine
Descriptor: GLYCINE, Outer membrane protein omp38
Authors:Park, J.S, Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2011-08-10
Release date:2011-10-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Mechanism of anchoring of OmpA protein to the cell wall peptidoglycan of the gram-negative bacterial outer membrane
Faseb J., 26, 2012
1UC7
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BU of 1uc7 by Molmil
Crystal structure of DsbDgamma
Descriptor: Thiol:disulfide interchange protein dsbD
Authors:Kim, J.H, Kim, S.J, Jeong, D.G, Son, J.H, Ryu, S.E.
Deposit date:2003-04-09
Release date:2004-04-27
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of DsbDgamma reveals the mechanism of redox potential shift and substrate specificity(1)
FEBS LETT., 543, 2003
1XM2
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BU of 1xm2 by Molmil
Crystal structure of Human PRL-1
Descriptor: SULFATE ION, Tyrosine Phosphatase
Authors:Jeong, D.G, Kim, S.J, Kim, J.H, Son, J.H, Ryu, S.E.
Deposit date:2004-10-01
Release date:2005-01-25
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Trimeric structure of PRL-1 phosphatase reveals an active enzyme conformation and regulation mechanisms
J.Mol.Biol., 345, 2005
1YZ4
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BU of 1yz4 by Molmil
Crystal structure of DUSP15
Descriptor: SULFATE ION, dual specificity phosphatase-like 15 isoform a, octyl beta-D-glucopyranoside
Authors:Kim, S.J, Ryu, S.E, Jeong, D.G, Yoon, T.S, Kim, J.H, Cho, Y.H, Jeong, S.K, Lee, J.W, Son, J.H.
Deposit date:2005-02-28
Release date:2005-11-01
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the catalytic domain of human VHY, a dual-specificity protein phosphatase
Proteins, 61, 2005
1ZZW
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BU of 1zzw by Molmil
Crystal Structure of catalytic domain of Human MAP Kinase Phosphatase 5
Descriptor: 1,2-ETHANEDIOL, Dual specificity protein phosphatase 10, SULFATE ION
Authors:Jeong, D.G, Yoon, T.S, Kim, J.H, Shim, M.Y, Jeong, S.K, Son, J.H, Ryu, S.E, Kim, S.J.
Deposit date:2005-06-14
Release date:2006-07-04
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of the Catalytic Domain of Human MAP Kinase Phosphatase 5: Structural Insight into Constitutively Active Phosphatase.
J.Mol.Biol., 360, 2006
5KXA
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BU of 5kxa by Molmil
Selective Inhibition of Autotaxin is Effective in Mouse Models of Liver Fibrosis
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid, CALCIUM ION, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2016-07-20
Release date:2016-11-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:Selective Inhibition of Autotaxin Is Efficacious in Mouse Models of Liver Fibrosis.
J. Pharmacol. Exp. Ther., 360, 2017
6NYA
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BU of 6nya by Molmil
Crystal Structure of ubiquitin E1 (Uba1) in complex with Ubc3 (Cdc34) and ubiquitin
Descriptor: 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:Olsen, S.K, Williams, K.M, Atkison, J.H.
Deposit date:2019-02-11
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.065 Å)
Cite:Structural insights into E1 recognition and the ubiquitin-conjugating activity of the E2 enzyme Cdc34.
Nat Commun, 10, 2019
6NYO
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BU of 6nyo by Molmil
Crystal structure of a human Cdc34-ubiquitin thioester mimetic
Descriptor: 1,2-ETHANEDIOL, 4,5-dideoxy-5-(3',5'-dichlorobiphenyl-4-yl)-4-[(methoxyacetyl)amino]-L-arabinonic acid, PHOSPHATE ION, ...
Authors:Olsen, S.K, Williams, K.M, Atkison, J.H.
Deposit date:2019-02-11
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.502 Å)
Cite:Structural insights into E1 recognition and the ubiquitin-conjugating activity of the E2 enzyme Cdc34.
Nat Commun, 10, 2019
6NYD
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BU of 6nyd by Molmil
Crystal Structure of S. cerevisiae Ubc3 (Cdc34)
Descriptor: ACETATE ION, Ubiquitin-conjugating enzyme E2-34 kDa, ZINC ION
Authors:Olsen, S.K, Williams, K.M, Atkison, J.H.
Deposit date:2019-02-11
Release date:2019-08-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insights into E1 recognition and the ubiquitin-conjugating activity of the E2 enzyme Cdc34.
Nat Commun, 10, 2019
6CWY
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BU of 6cwy by Molmil
Crystal structure of SUMO E1 in complex with an allosteric inhibitor
Descriptor: GLYCEROL, MAGNESIUM ION, SULFATE ION, ...
Authors:Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K.
Deposit date:2018-04-01
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.462 Å)
Cite:Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
6CWZ
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BU of 6cwz by Molmil
Crystal structure of apo SUMO E1
Descriptor: SUMO-activating enzyme subunit 1, SUMO-activating enzyme subunit 2, ZINC ION
Authors:Lv, Z, Yuan, L, Atkison, J.H, Williams, K.M, Olsen, S.K.
Deposit date:2018-04-01
Release date:2019-01-16
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Molecular mechanism of a covalent allosteric inhibitor of SUMO E1 activating enzyme.
Nat Commun, 9, 2018
4ZGA
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BU of 4zga by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: (11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
4ZG7
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BU of 4zg7 by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: (2R)-2-hydroxy-3-(phosphonooxy)propyl tetradecanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
4ZG6
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BU of 4zg6 by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: 4-{(Z)-2-[6-chloro-1-(4-fluorobenzyl)-1H-indol-3-yl]-1-cyanoethenyl}benzoic acid, CALCIUM ION, Ectonucleotide pyrophosphatase/phosphodiesterase family member 2, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
4ZG9
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BU of 4zg9 by Molmil
Structural basis for inhibition of human autotaxin by four novel compounds
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(11aS)-6-(4-fluorobenzyl)-1,3-dioxo-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indol-2(3H)-yl]propanoic acid, ...
Authors:Stein, A.J, Bain, G, Hutchinson, J.H, Evans, J.F.
Deposit date:2015-04-22
Release date:2015-10-14
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural Basis for Inhibition of Human Autotaxin by Four Potent Compounds with Distinct Modes of Binding.
Mol.Pharmacol., 88, 2015
4LKL
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BU of 4lkl by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-55
Descriptor: ADAMANTANE, PL-55, Serine/threonine-protein kinase PLK1
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2013-07-08
Release date:2013-12-11
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
4LKM
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BU of 4lkm by Molmil
Crystal structure of Plk1 Polo-box domain in complex with PL-74
Descriptor: GLYCEROL, PL-74, SULFATE ION, ...
Authors:Lee, W.C, Song, J.H, Kim, H.Y.
Deposit date:2013-07-08
Release date:2013-12-11
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2 Å)
Cite:Exploring the binding nature of pyrrolidine pocket-dependent interactions in the polo-box domain of polo-like kinase 1
Plos One, 8, 2013
5IDH
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BU of 5idh by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
Descriptor: 8-bromooctanoic acid, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-24
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8-bromooctanoic acid
To Be Published
5ICH
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BU of 5ich by Molmil
Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
Descriptor: 5'-O-[(S)-[(8-bromooctanoyl)oxy](hydroxy)phosphoryl]adenosine, Lipoate--protein ligase
Authors:Hughes, S.J, Song, J.H, Antoshchenko, T, Park, H.W.
Deposit date:2016-02-23
Release date:2017-03-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of Enterococcus faecalis lipoate-protein ligase A (lplA-2) in complex with 8BO-AMP
to be published

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