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7TAD
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BU of 7tad by Molmil
CryoEM structure of the (NPR1)2-(TGA3)2 complex
Descriptor: PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ...
Authors:Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7TAE
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BU of 7tae by Molmil
Crystal Structure of the NPR1-Interacting Domain of TGA3
Descriptor: GLYCEROL, PALMITIC ACID, Transcription factor TGA3
Authors:Cheng, J, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7TAC
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BU of 7tac by Molmil
Cryo-EM structure of the (TGA3)2-(NPR1)2-(TGA3)2 complex
Descriptor: PALMITIC ACID, Regulatory protein NPR1, Transcription factor TGA3, ...
Authors:Wu, Q, Zhou, Y, Bartesaghi, A, Dong, X, Zhou, P.
Deposit date:2021-12-20
Release date:2022-03-16
Last modified:2024-02-28
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural basis of NPR1 in activating plant immunity.
Nature, 605, 2022
7CAL
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BU of 7cal by Molmil
Cryo-EM Structure of the Hyperpolarization-Activated Inwardly Rectifying Potassium Channel KAT1 from Arabidopsis
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE, Potassium channel KAT1
Authors:Li, S.Y, Yang, F, Sun, D.M, Zhang, Y, Zhang, M.G, Zhou, P, Liu, S.L, Zhang, Y.N, Zhang, L.H, Tian, C.L.
Deposit date:2020-06-09
Release date:2020-07-29
Last modified:2020-11-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Cryo-EM structure of the hyperpolarization-activated inwardly rectifying potassium channel KAT1 from Arabidopsis.
Cell Res., 30, 2020
5YY5
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BU of 5yy5 by Molmil
Structural definition of a unique neutralization epitope on the receptor-binding domain of MERS-CoV spike glycoprotein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain, Light chain, ...
Authors:Zhang, S, Wang, P, Zhou, P, Wang, X, Zhang, L.
Deposit date:2017-12-08
Release date:2018-08-01
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural Definition of a Unique Neutralization Epitope on the Receptor-Binding Domain of MERS-CoV Spike Glycoprotein
Cell Rep, 24, 2018
2J95
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BU of 2j95 by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor: 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, ACTIVATED FACTOR XA LIGHT CHAIN, ...
Authors:Chan, C, Borthwick, A.D, Brown, D, Campbell, M, Chaudry, L, Chung, C.W, Convery, M.A, Hamblin, J.N, Johnstone, L, Kelly, H.A, Kleanthous, S, Burns-Kurtis, C.L, Patikis, A, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Toomey, J.R, Watson, N.S, Weston, H.E, Whitworth, C, Young, R.J, Zhou, P.
Deposit date:2006-11-02
Release date:2007-03-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Factor Xa Inhibitors: S1 Binding Interactions of a Series of N-{(3S)-1-[(1S)-1-Methyl-2-Morpholin-4-Yl-2-Oxoethyl]-2-Oxopyrrolidin-3-Yl}Sulfonamides.
J.Med.Chem., 50, 2007
2J4I
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BU of 2j4i by Molmil
CRYSTAL STRUCTURE OF A HUMAN FACTOR XA INHIBITOR COMPLEX
Descriptor: 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-, ...
Authors:Young, R.J, Campbell, M, Borthwick, A.D, Brown, D, Chan, C, Convery, M.A, Crowe, M.C, Dayal, S, Diallo, H, Kelly, H.A, Paul King, N, Kleanthous, S, Kurtis, C.L, Mason, A.M, Mordaunt, J.E, Patel, C, Pateman, A.J, Senger, S, Shah, G.P, Smith, P.W, Watson, N.S, Weston, H.E, Zhou, P.
Deposit date:2006-08-31
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure- and Property-Based Design of Factor Xa Inhibitors: Pyrrolidin-2-Ones with Acyclic Alanyl Amides as P4 Motifs.
Bioorg.Med.Chem.Lett., 16, 2006
8FU7
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BU of 8fu7 by Molmil
Structure of Covid Spike variant deltaN135 in fully closed form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
Deposit date:2023-01-16
Release date:2023-04-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.21 Å)
Cite:Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
8FU8
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BU of 8fu8 by Molmil
Structure of Covid Spike variant deltaN135 with one erect RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
Deposit date:2023-01-16
Release date:2023-04-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.08 Å)
Cite:Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
8FU9
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BU of 8fu9 by Molmil
Structure of Covid Spike variant deltaN25 with one erect RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Yu, X, Juraszek, J, Rutten, L, Bakkers, M.J.G, Blokland, S, Van den Broek, N.J.F, Verwilligen, A.Y.W, Abeywickrema, P, Vingerhoets, J, Neefs, J, Bakhash, S.A.M, Roychoudhury, P, Greninger, A, Sharma, S, Langedijk, J.P.M.
Deposit date:2023-01-16
Release date:2023-04-05
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Convergence of immune escape strategies highlights plasticity of SARS-CoV-2 spike.
Plos Pathog., 19, 2023
7SS6
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BU of 7ss6 by Molmil
Structure of Klebsiella LpxH in complex with JH-LPH-45
Descriptor: 1,2-ETHANEDIOL, 5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide, MANGANESE (II) ION, ...
Authors:Cho, J, Cochrane, C.S, Zhou, P.
Deposit date:2021-11-09
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH.
Chemmedchem, 18, 2023
7SS7
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BU of 7ss7 by Molmil
Crystal structure of Klebsiella LpxH in complex with JH-LPH-50
Descriptor: 1,2-ETHANEDIOL, 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide, MANGANESE (II) ION, ...
Authors:Cho, J, Cochrane, C.S, Zhou, P.
Deposit date:2021-11-09
Release date:2023-04-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of LpxH Inhibitors Chelating the Active Site Dimanganese Metal Cluster of LpxH.
Chemmedchem, 18, 2023
5VXA
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BU of 5vxa by Molmil
Structure of the human Mesh1-NADPH complex
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BETA-MERCAPTOETHANOL, ...
Authors:Rose, J, Zhou, P.
Deposit date:2017-05-23
Release date:2018-05-23
Last modified:2022-03-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:MESH1 is a cytosolic NADPH phosphatase that regulates ferroptosis.
Nat Metab, 2, 2020
5K8K
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BU of 5k8k by Molmil
Structure of the Haemophilus influenzae 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, ACETATE ION, GLYCEROL, ...
Authors:Cho, J, Lee, C.-J, Zhou, P.
Deposit date:2016-05-30
Release date:2016-08-10
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure of the essential Haemophilus influenzae UDP-diacylglucosamine pyrophosphohydrolase LpxH in lipid A biosynthesis.
Nat Microbiol, 1, 2016
5XBZ
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BU of 5xbz by Molmil
Crystal structure of GH family 81 beta-1,3-glucanase from Rhizomucr miehei complexed with laminaripentaose
Descriptor: Endo-beta-1,3-glucanase, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, ...
Authors:Yang, S, Qin, Z, Zhou, P, Yan, Q, Jiang, Z.
Deposit date:2017-03-21
Release date:2018-03-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Catalytic mechanism of glycoside hydrolase family 81 beta-1,3-glucanase
To Be Published
8GAJ
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BU of 8gaj by Molmil
Crystal Structure of E. coli LptA in complex with Podisus maculiventris Thanatin
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin
Authors:Huynh, K, Kibrom, A, Donald, B, Zhou, P.
Deposit date:2023-02-23
Release date:2023-07-19
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
8GAL
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BU of 8gal by Molmil
Crystal Structure of the E. coli LptA in complex with Murgantia histrionica Thanatin
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin
Authors:Kibrom, A, Huynh, K, Donald, B, Zhou, P.
Deposit date:2023-02-23
Release date:2023-07-19
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
8GAK
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BU of 8gak by Molmil
Crystal Structure of E. coli LptA in complex with Chinavia Ubica Thanatin
Descriptor: Lipopolysaccharide export system protein LptA, Thanatin
Authors:Huynh, K, Kibrom, A, Donald, B, Zhou, P.
Deposit date:2023-02-23
Release date:2023-07-19
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery, characterization, and redesign of potent antimicrobial thanatin orthologs from Chinavia ubica and Murgantia histrionica targeting E. coli LptA.
J Struct Biol X, 8, 2023
5UHT
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BU of 5uht by Molmil
Structure of the Thermotoga maritima HK853-BeF3-RR468 complex at pH 5.0
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, MAGNESIUM ION, ...
Authors:Liu, Y, Rose, J, Jiang, L, Zhou, P.
Deposit date:2017-01-12
Release date:2017-12-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:A pH-gated conformational switch regulates the phosphatase activity of bifunctional HisKA-family histidine kinases.
Nat Commun, 8, 2017
5U86
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BU of 5u86 by Molmil
Structure of the Aquifex aeolicus LpxC/LPC-069 complex
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide, ...
Authors:Najeeb, J, Lee, C.-J, Zhou, P.
Deposit date:2016-12-13
Release date:2017-08-09
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Curative Treatment of Severe Gram-Negative Bacterial Infections by a New Class of Antibiotics Targeting LpxC.
MBio, 8, 2017
4ITL
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BU of 4itl by Molmil
Crystal structure of LpxK from Aquifex aeolicus in complex with AMP-PCP at 2.1 angstrom resolution
Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Tetraacyldisaccharide 4'-kinase
Authors:Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
Deposit date:2013-01-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
4ISA
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BU of 4isa by Molmil
Crystal Structure of the Escherichia coli LpxC/BB-78485 complex
Descriptor: (2R)-N-hydroxy-3-naphthalen-2-yl-2-[(naphthalen-2-ylsulfonyl)amino]propanamide, (4S,5S)-1,2-DITHIANE-4,5-DIOL, FORMIC ACID, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014
4ITN
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BU of 4itn by Molmil
Crystal structure of "compact P-loop" LpxK from Aquifex aeolicus in complex with chloride at 2.2 angstrom resolution
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, GLYCEROL, ...
Authors:Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
Deposit date:2013-01-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1912 Å)
Cite:Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
4ITM
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BU of 4itm by Molmil
Crystal structure of "apo" form LpxK from Aquifex aeolicus in complex with ATP at 2.2 angstrom resolution
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Emptage, R.P, Pemble IV, C.W, York, J.D, Raetz, C.R.H, Zhou, P.
Deposit date:2013-01-18
Release date:2013-04-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1994 Å)
Cite:Mechanistic Characterization of the Tetraacyldisaccharide-1-phosphate 4'-Kinase LpxK Involved in Lipid A Biosynthesis.
Biochemistry, 52, 2013
4IS9
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BU of 4is9 by Molmil
Crystal Structure of the Escherichia coli LpxC/L-161,240 complex
Descriptor: (4R)-2-(3,4-dimethoxy-5-propylphenyl)-N-hydroxy-4,5-dihydro-1,3-oxazole-4-carboxamide, ISOPROPYL ALCOHOL, SODIUM ION, ...
Authors:Lee, C.-J, Zhou, P.
Deposit date:2013-01-16
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structural Basis of the Promiscuous Inhibitor Susceptibility of Escherichia coli LpxC.
Acs Chem.Biol., 9, 2014

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