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7PL2
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BU of 7pl2 by Molmil
Crystal structure of choline-binding module of LytB from Streptococcus pneumoniae
Descriptor: CHOLINE ION, Putative endo-beta-N-acetylglucosaminidase
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ3
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BU of 7pj3 by Molmil
Crystal structure of catalytic domain in open conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ4
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BU of 7pj4 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB (E585Q)from Streptococcus pneumoniae
Descriptor: ACETATE ION, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ5
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BU of 7pj5 by Molmil
Crystal structure of catalytic domain of LytB from Streptococcus pneumoniae in complex with NAG-NAG-NAG-NAG tetrasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PJ6
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BU of 7pj6 by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM-NAG peptidolycan analogue
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7POD
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BU of 7pod by Molmil
Crystal structure of catalytic domain of LytB (E585Q) from Streptococcus pneumoniae in complex with NAG-NAM-NAG-NAM tetrasaccharide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-09-08
Release date:2022-09-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
7PL3
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BU of 7pl3 by Molmil
Crystal structure of catalytic domain in closed conformation of LytB from Streptococcus pneumoniae
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, PENTAETHYLENE GLYCOL, ...
Authors:Martinez Caballero, S, Hermoso, J.A.
Deposit date:2021-08-28
Release date:2022-09-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular basis of the final step of cell division in Streptococcus pneumoniae.
Cell Rep, 42, 2023
6MH6
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BU of 6mh6 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source.
Descriptor: CALCIUM ION, NITRATE ION, Proteinase K
Authors:Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
6MH8
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BU of 6mh8 by Molmil
High-viscosity injector-based Pink Beam Serial Crystallography of Micro-crystals at a Synchrotron Radiation Source
Descriptor: 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, Adenosine receptor A2a, Soluble cytochrome b562 chimeric construct
Authors:Martin-Garcia, J.M, Zhu, L, Mendez, D, Lee, M, Chun, E, Li, C, Hu, H, Subramanian, G, Kissick, D, Ogata, C, Henning, R, Ishchenko, A, Dobson, Z, Zhan, S, Weierstall, U, Spence, J.C.H, Fromme, P, Zatsepin, N.A, Fischetti, R.F, Cherezov, V, Liu, W.
Deposit date:2018-09-17
Release date:2019-04-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:High-viscosity injector-based pink-beam serial crystallography of microcrystals at a synchrotron radiation source.
Iucrj, 6, 2019
7RIC
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BU of 7ric by Molmil
Griffithsin variant Y28W/Y68W/Y110W
Descriptor: Griffithsin
Authors:Zhao, G, Sun, J, Bewley, C.A.
Deposit date:2021-07-19
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RKI
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BU of 7rki by Molmil
Griffithsin-S10Y/S42Y/S88Y
Descriptor: Griffithsin, alpha-D-mannopyranose
Authors:Sun, J.D, Zhao, G.X.
Deposit date:2021-07-22
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RIA
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BU of 7ria by Molmil
Griffithsin variant Y28A/Y68A/Y110A
Descriptor: Griffithsin, SULFATE ION, alpha-D-mannopyranose
Authors:Zhao, G, Sun, J, Bewley, C.A.
Deposit date:2021-07-19
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RID
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BU of 7rid by Molmil
Griffithsin variant Y28A
Descriptor: Griffithsin
Authors:Zhao, G, Sun, J, Bewley, C.A.
Deposit date:2021-07-19
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RKG
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BU of 7rkg by Molmil
Griffithsin mutant Y28W
Descriptor: Griffithsin, alpha-D-mannopyranose
Authors:Zhao, G, Sun, J, Bewley, C.
Deposit date:2021-07-22
Release date:2022-05-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
7RIB
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BU of 7rib by Molmil
Griffithsin mutant Y28F/Y68F/Y110F
Descriptor: Griffithsin, SULFATE ION, alpha-D-mannopyranose
Authors:Zhao, G, Sun, J, Bewley, C.A.
Deposit date:2021-07-19
Release date:2022-05-18
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:C 3 -Symmetric Aromatic Core of Griffithsin Is Essential for Potent Anti-HIV Activity.
Acs Chem.Biol., 17, 2022
5LY7
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BU of 5ly7 by Molmil
Crystal structure of NagZ H174A mutant from Pseudomonas aeruginosa in complex with the inhibitor 2-acetamido-1,2-dideoxynojirimycin
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, Beta-hexosaminidase, DI(HYDROXYETHYL)ETHER
Authors:Acebron, I, Artola-Recolons, C, Mahasenan, K, Mobashery, S, Hermoso, J.A.
Deposit date:2016-09-25
Release date:2017-05-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Catalytic Cycle of the N-Acetylglucosaminidase NagZ from Pseudomonas aeruginosa.
J. Am. Chem. Soc., 139, 2017
2IXV
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BU of 2ixv by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-GLUTAMINE, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8G
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BU of 2j8g by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a tetrasaccharide- pentapeptide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-beta-muramic acid-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ALANINE, D-GLUTAMIC ACID, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2J8F
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BU of 2j8f by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (E94Q mutant in complex with a disaccharide- pentapeptide)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-methyl 2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranoside, ALANINE, D-GLUTAMIC ACID, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-10-25
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
2IXU
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BU of 2ixu by Molmil
Crystal structure of the modular Cpl-1 endolysin complexed with a peptidoglycan analogue (wild-type endolysin)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, ALANINE, D-alpha-glutamine, ...
Authors:Perez-Dorado, I, Hermoso, J.A.
Deposit date:2006-07-11
Release date:2007-07-03
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Elucidation of the Molecular Recognition of Bacterial Cell Wall by Modular Pneumococcal Phage Endolysin Cpl-1.
J.Biol.Chem., 282, 2007
3TBL
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BU of 3tbl by Molmil
Structure of Mono-ubiquitinated PCNA: Implications for DNA Polymerase Switching and Okazaki Fragment Maturation
Descriptor: Proliferating cell nuclear antigen, Ubiquitin
Authors:Zhang, Z, Lee, M, Lee, E, Zhang, S.
Deposit date:2011-08-07
Release date:2012-05-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.903 Å)
Cite:Structure of monoubiquitinated PCNA: Implications for DNA polymerase switching and Okazaki fragment maturation.
Cell Cycle, 11, 2012
6D0T
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BU of 6d0t by Molmil
De novo design of a fluorescence-activating beta barrel - BB1
Descriptor: BB1
Authors:Dou, J, Vorobieva, A.A, Sheffler, W, Doyle, L.A, Park, H, Bick, M.J, Mao, B, Foight, G.W, Lee, M, Carter, L, Sankaran, B, Ovchinnikov, S, Marcos, E, Huang, P, Vaughan, J.C, Stoddard, B.L, Baker, D.
Deposit date:2018-04-10
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6PIB
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BU of 6pib by Molmil
Structure of the Klebsiella pneumoniae LpxH-AZ1 complex
Descriptor: 1-[5-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}sulfonyl)-2,3-dihydro-1H-indol-1-yl]ethan-1-one, MANGANESE (II) ION, TETRAETHYLENE GLYCOL, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-26
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020
4CJN
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BU of 4cjn by Molmil
Crystal structure of PBP2a from MRSA in complex with quinazolinone ligand
Descriptor: (E)-3-(2-(4-cyanostyryl)-4-oxoquinazolin-3(4H)-yl)benzoic acid, CADMIUM ION, CHLORIDE ION, ...
Authors:Bouley, R, Otero, L.H, Rojas-Altuve, A, Hermoso, J.A.
Deposit date:2013-12-21
Release date:2015-02-11
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.947 Å)
Cite:Discovery of Antibiotic (E)-3-(3-Carboxyphenyl)-2-(4-Cyanostyryl)Quinazolin-4(3H)-One.
J.Am.Chem.Soc., 137, 2015
6PH9
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BU of 6ph9 by Molmil
Crystal Structure of the Klebsiella pneumoniae LpxH-lipid X complex
Descriptor: (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cho, J, Zhou, P.
Deposit date:2019-06-25
Release date:2020-02-12
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural basis of the UDP-diacylglucosamine pyrophosphohydrolase LpxH inhibition by sulfonyl piperazine antibiotics.
Proc.Natl.Acad.Sci.USA, 117, 2020

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