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4TWU
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BU of 4twu by Molmil
Horse heart myoglobin mutant (D44K/D60K/E85K) with Zn-deuteroporphyrin IX
Descriptor: Myoglobin, SULFATE ION, Zinc (II) Deuteroporphyrin IX
Authors:Span, I, Rosenzweig, A.C.
Deposit date:2014-07-02
Release date:2016-05-04
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:Charge-Disproportionation Symmetry Breaking Creates a Heterodimeric Myoglobin Complex with Enhanced Affinity and Rapid Intracomplex Electron Transfer.
J.Am.Chem.Soc., 138, 2016
4U2B
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BU of 4u2b by Molmil
Crystal structure of dienelactone hydrolase (C123S) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2E
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BU of 4u2e by Molmil
Crystal structure of dienelactone hydrolase S-3 variant (Q35H, F38L, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G, G211D and K234N) at 1.70 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U2F
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BU of 4u2f by Molmil
Crystal structure of dienelactone hydrolase B-1 variant (Q35H, F38L, Y64H, Q110L, C123S, Y137C, Y145C, N154D, E199G, S208G and G211D) at 1.80 A resolution
Descriptor: Carboxymethylenebutenolidase, SULFATE ION
Authors:Porter, J.L, Collyer, C.A, Ollis, D.L.
Deposit date:2014-07-16
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Directed evolution of new and improved enzyme functions using an evolutionary intermediate and multidirectional search.
Acs Chem.Biol., 10, 2015
4U3B
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BU of 4u3b by Molmil
LpxC from A.Aaeolicus in complex with the MMP inhibitor 4-[[4-(4-chlorophenoxy)phenyl]sulfanylmethyl]tetrahydropyran-4-carbohydroxamic acid - compound 2
Descriptor: 4-({[4-(4-chlorophenoxy)phenyl]sulfanyl}methyl)-N-hydroxytetrahydro-2H-pyran-4-carboxamide, CHLORIDE ION, IMIDAZOLE, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4TVB
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BU of 4tvb by Molmil
Crystal Structure of the Homospermidine Synthase (HSS) from Blastochloris viridis in Complex with NAD, Putrescine and sym-Homospermidine
Descriptor: 1,4-DIAMINOBUTANE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE, ...
Authors:Krossa, S.
Deposit date:2014-06-26
Release date:2015-07-08
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.689 Å)
Cite:Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Sci Rep, 6, 2016
7DO5
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BU of 7do5 by Molmil
Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase(apo-form)
Descriptor: SULFATE ION, Short-chain dehydrogenase/reductase SDR
Authors:Yoshiwara, K, Watanabe, Y, Watanabe, S.
Deposit date:2020-12-12
Release date:2021-02-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.836 Å)
Cite:Crystal structure of l-rhamnose 1-dehydrogenase involved in the nonphosphorylative pathway of l-rhamnose metabolism in bacteria.
Febs Lett., 595, 2021
4TVW
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BU of 4tvw by Molmil
Resorufin ligase with bound resorufin-AMP analog
Descriptor: 5'-O-{[5-(7-hydroxy-3-oxo-3H-phenoxazin-2-yl)pentanoyl]sulfamoyl}adenosine, Lipoate-protein ligase A
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2014-06-28
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Computational design of a red fluorophore ligase for site-specific protein labeling in living cells.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U05
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BU of 4u05 by Molmil
Homodimeric Single Domain Antibody (sdAb) against Staphylococcal enterotoxin B (SEB) S74A Variant
Descriptor: SULFATE ION, Single Domain Antibody
Authors:Legler, P.M.
Deposit date:2014-07-11
Release date:2014-09-03
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and mutational analysis of a monomeric and dimeric form of a single domain antibody with implications for protein misfolding.
Proteins, 82, 2014
7DMU
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BU of 7dmu by Molmil
Structure of SARS-CoV-2 spike receptor-binding domain complexed with high affinity ACE2 mutant 3N39
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Arimori, T, Takagi, J.
Deposit date:2020-12-07
Release date:2020-12-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Engineered ACE2 receptor therapy overcomes mutational escape of SARS-CoV-2.
Nat Commun, 12, 2021
4TUI
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BU of 4tui by Molmil
Crystal structure of MjMre11-DNA1 complex
Descriptor: DNA (5'-D(P*TP*CP*CP*TP*AP*CP*GP*TP*GP*CP*CP*AP*G)-3'), DNA (5'-D(P*TP*GP*GP*CP*AP*CP*GP*TP*AP*GP*GP*AP*C)-3'), DNA double-strand break repair protein Mre11
Authors:Sung, S, Cho, Y.
Deposit date:2014-06-24
Release date:2014-10-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:DNA end recognition by the Mre11 nuclease dimer: insights into resection and repair of damaged DNA.
Embo J., 33, 2014
4U98
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BU of 4u98 by Molmil
Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway (AppCp complex)
Descriptor: MAGNESIUM ION, Maltokinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
Authors:Fraga, J, Empadinhas, N, Pereira, P.J.B, Macedo-Ribeiro, S.
Deposit date:2014-08-05
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Structure of mycobacterial maltokinase, the missing link in the essential GlgE-pathway.
Sci Rep, 5, 2015
4U9G
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BU of 4u9g by Molmil
Crystal structure of an H-NOX protein from S. oneidensis in the Fe(II)CO ligation state, Q154A/Q155A/K156A mutant
Descriptor: CARBON MONOXIDE, NO-binding heme-dependent sensor protein, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Herzik Jr, M.A, Jonnalagadda, R, Kuriyan, J, Marletta, M.A.
Deposit date:2014-08-06
Release date:2014-10-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the role of iron-histidine bond cleavage in nitric oxide-induced activation of H-NOX gas sensor proteins.
Proc.Natl.Acad.Sci.USA, 111, 2014
4U2S
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BU of 4u2s by Molmil
Cholesterol oxidase in the reduced state complexed with isopropanol
Descriptor: Cholesterol oxidase, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, SULFATE ION
Authors:Golden, E.A, Vrielink, A.
Deposit date:2014-07-18
Release date:2014-12-10
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:High-resolution structures of cholesterol oxidase in the reduced state provide insights into redox stabilization.
Acta Crystallogr.,Sect.D, 70, 2014
4U2X
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BU of 4u2x by Molmil
Ebola virus VP24 in complex with Karyopherin alpha 5 C-terminus
Descriptor: CHLORIDE ION, Importin subunit alpha-6, Membrane-associated protein VP24
Authors:Xu, W, Leung, D, Borek, D, Amarasinghe, G.
Deposit date:2014-07-18
Release date:2014-08-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.153 Å)
Cite:Ebola Virus VP24 Targets a Unique NLS Binding Site on Karyopherin Alpha 5 to Selectively Compete with Nuclear Import of Phosphorylated STAT1.
Cell Host Microbe, 16, 2014
7CY1
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BU of 7cy1 by Molmil
Crystal Structure of MglC from Myxococcus xanthus
Descriptor: Mutual gliding motility protein C, SODIUM ION
Authors:Thakur, K.G, Kapoor, S, Kodesia, A.
Deposit date:2020-09-03
Release date:2021-01-27
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Structural characterization of Myxococcus xanthus MglC, a component of the polarity control system, and its interactions with its paralog MglB.
J.Biol.Chem., 2021
4U6U
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BU of 4u6u by Molmil
Crystal Structure of the Cog5-Cog7 complex from Kluyveromyces lactis
Descriptor: Cog5, Cog7
Authors:Ha, J.Y, Jeffrey, P.D, Hughson, F.M.
Deposit date:2014-07-29
Release date:2014-10-22
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cog5-Cog7 crystal structure reveals interactions essential for the function of a multisubunit tethering complex.
Proc.Natl.Acad.Sci.USA, 111, 2014
7D90
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BU of 7d90 by Molmil
human potassium-chloride co-transporter KCC3
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 3
Authors:Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J.
Deposit date:2020-10-12
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
7D8Z
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BU of 7d8z by Molmil
human potassium-chloride co-transporter KCC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, potassium-chloride cotransporter 2
Authors:Xie, Y, Chang, S, Zhao, C, Ye, S, Guo, J.
Deposit date:2020-10-11
Release date:2020-12-30
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures and an activation mechanism of human potassium-chloride cotransporters.
Sci Adv, 6, 2020
4U3D
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BU of 4u3d by Molmil
LpxC from A.Aaeolicus in complex with 4-[[4-[2-[4-(morpholinomethyl)phenyl]ethynyl]phenoxy]methyl]tetrahydropyran-4-carbohydroxamic acid (compound 9)
Descriptor: CHLORIDE ION, IMIDAZOLE, N-hydroxy-4-[(4-{[4-(morpholin-4-ylmethyl)phenyl]ethynyl}phenoxy)methyl]tetrahydro-2H-pyran-4-carboxamide, ...
Authors:Olivier, N.B.
Deposit date:2014-07-19
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Synthesis, Structure, and SAR of Tetrahydropyran-Based LpxC Inhibitors.
Acs Med.Chem.Lett., 5, 2014
4U5Q
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BU of 4u5q by Molmil
High resolution crystal structure of reductase (R) domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis
Descriptor: 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL, Peptide synthetase
Authors:Patel, K.D, Haque, A.S, Priyadarshan, K, Sankaranarayanan, R.
Deposit date:2014-07-25
Release date:2016-01-13
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.811 Å)
Cite:High resolution structure of R-domain of nonribosomal peptide synthetase from Mycobacterium tuberculosis
To Be Published
7DO7
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BU of 7do7 by Molmil
Crystal structure of Azotobacter vinelandii L-rhamnose 1-dehydrogenase(NAD and L-rhamnose bound-form)
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Short-chain dehydrogenase/reductase SDR, beta-L-rhamnopyranose
Authors:Yoshiwara, K, Watanabe, Y, Watanabe, S.
Deposit date:2020-12-12
Release date:2021-02-03
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Crystal structure of l-rhamnose 1-dehydrogenase involved in the nonphosphorylative pathway of l-rhamnose metabolism in bacteria.
Febs Lett., 595, 2021
7DNA
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BU of 7dna by Molmil
Photocleavable Fluorescent Protein in green and red form
Descriptor: Green-to-red photoconvertible GFP-like protein, PHENYLALANINE AMIDE
Authors:Wen, Y, Lemieux, J.M.
Deposit date:2020-12-09
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Photocleavable proteins that undergo fast and efficient dissociation.
Chem Sci, 12, 2021
4U46
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BU of 4u46 by Molmil
Crystal structure of an avidin mutant
Descriptor: Avidin, CHLORIDE ION
Authors:Agrawal, N, Lehtonen, S, Kahkonen, N, Riihimaki, T, Hytonen, V.P, Kulomaa, M.S, Johnson, M.S, Airenne, T.T.
Deposit date:2014-07-23
Release date:2015-08-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Artificial Avidin-Based Receptors for a Panel of Small Molecules.
Acs Chem.Biol., 11, 2016
4U7O
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BU of 4u7o by Molmil
Active histidine kinase bound with ATP
Descriptor: AMP PHOSPHORAMIDATE, Histidine protein kinase sensor protein
Authors:Cai, Y, Hu, X, Sang, J.
Deposit date:2014-07-31
Release date:2015-09-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.395 Å)
Cite:Conformational dynamics of the essential sensor histidine kinase WalK.
Acta Crystallogr D Struct Biol, 73, 2017

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