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8TXF
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BU of 8txf by Molmil
AvrB bound with RIN4 C-NOI motif
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ...
Authors:Peng, W, Orth, K.
Deposit date:2023-08-23
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
8TWO
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BU of 8two by Molmil
AvrB bound with UDP and RIN4_T166-Rha
Descriptor: Avirulence protein B, RPM1-interacting protein 4, URIDINE-5'-DIPHOSPHATE, ...
Authors:Peng, W, Orth, K.
Deposit date:2023-08-21
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
8TWJ
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BU of 8twj by Molmil
AvrB_R266A bound with UDP
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Avirulence protein B, ...
Authors:Peng, W, Orth, K.
Deposit date:2023-08-21
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Pseudomonas effector AvrB is a glycosyltransferase that rhamnosylates plant guardee protein RIN4.
Sci Adv, 10, 2024
5BOO
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BU of 5boo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM265
Descriptor: 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Phillips, M, Deng, X, Tomchick, D.
Deposit date:2015-05-27
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:A long-duration dihydroorotate dehydrogenase inhibitor (DSM265) for prevention and treatment of malaria.
Sci Transl Med, 7, 2015
6AR0
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BU of 6ar0 by Molmil
Structure of human SLMAP FHA domain
Descriptor: Sarcolemmal membrane-associated protein
Authors:Ni, L, Luo, X.
Deposit date:2017-08-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.08 Å)
Cite:SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
6AR2
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BU of 6ar2 by Molmil
Structure of human SLMAP FHA domain in complex with pMST2
Descriptor: ASP-GLY-TPO-MET-LYS-ARG, Sarcolemmal membrane-associated protein
Authors:Osinski, A, Ni, L, Luo, X.
Deposit date:2017-08-21
Release date:2018-07-04
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:SAV1 promotes Hippo kinase activation through antagonizing the PP2A phosphatase STRIPAK.
Elife, 6, 2017
5TBO
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BU of 5tbo by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM421
Descriptor: 2-(1,1-difluoroethyl)-5-methyl-N-[6-(trifluoromethyl)pyridin-3-yl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M.
Deposit date:2016-09-12
Release date:2016-09-28
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.151 Å)
Cite:A Triazolopyrimidine-Based Dihydroorotate Dehydrogenase Inhibitor with Improved Drug-like Properties for Treatment and Prevention of Malaria.
ACS Infect Dis, 2, 2016
2ZAL
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BU of 2zal by Molmil
Crystal structure of E. coli isoaspartyl aminopeptidase/L-asparaginase in complex with L-aspartate
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ASPARTIC ACID, CALCIUM ION, ...
Authors:Michalska, K, Brzezinski, K, Jaskolski, M.
Deposit date:2007-10-07
Release date:2007-10-30
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of isoaspartyl aminopeptidase in complex with L-aspartate
J.Biol.Chem., 280, 2005
2ZAK
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BU of 2zak by Molmil
Orthorhombic crystal structure of precursor E. coli isoaspartyl peptidase/L-asparaginase (EcAIII) with active-site T179A mutation
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, L-asparaginase precursor, ...
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2007-10-07
Release date:2008-03-25
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Crystal packing of plant-type L-asparaginase from Escherichia coli
Acta Crystallogr.,Sect.D, 64, 2008
2N1T
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BU of 2n1t by Molmil
Dynamic binding mode of a synaptotagmin-1-SNARE complex in solution
Descriptor: Synaptosomal-associated protein 25, Synaptotagmin-1, Syntaxin-1A, ...
Authors:Brewer, K, Bacaj, T, Cavalli, A, Camilloni, C, Swarbrick, J, Liu, J, Zhou, A, Zhou, P, Barlow, N, Xu, J, Seven, A, Prinslow, E, Voleti, R, Haussinger, D, Bonvin, A, Tomchick, D, Vendruscolo, M, Graham, B, Sudhof, T, Rizo, J.
Deposit date:2015-04-21
Release date:2015-06-03
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Dynamic binding mode of a Synaptotagmin-1-SNARE complex in solution.
Nat.Struct.Mol.Biol., 22, 2015
7KH2
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BU of 7kh2 by Molmil
Structure of N-citrylornithine decarboxylase bound with PLP
Descriptor: GLYCEROL, N-citrylornithine decarboxylase, PYRIDOXAL-5'-PHOSPHATE, ...
Authors:Deng, X, Tomchick, D, Phillips, M, Michael, A.
Deposit date:2020-10-19
Release date:2020-12-16
Last modified:2021-07-28
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Alternative pathways utilize or circumvent putrescine for biosynthesis of putrescine-containing rhizoferrin.
J.Biol.Chem., 296, 2020
7L0K
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BU of 7l0k by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM784 (3-(1-(3-methyl-4-((6-(trifluoromethyl)pyridin-3-yl)methyl)-1H-pyrrole-2-carboxamido)ethyl)-1H-pyrazole-5-carboxamide)
Descriptor: 3-{(1R)-1-[(3-methyl-4-{[6-(trifluoromethyl)pyridin-3-yl]methyl}-1H-pyrrole-2-carbonyl)amino]ethyl}-1H-pyrazole-5-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-11
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KZY
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BU of 7kzy by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM778 (3-methyl-N-(1-(5-methyl-1H-pyrazol-3-yl)ethyl)-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
Descriptor: 3-methyl-N-[(1R)-1-(5-methyl-1H-pyrazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KYK
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BU of 7kyk by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM589 (ethyl 3-methyl-4-((4-(trifluoromethyl)benzo[d]oxazol-7-yl)methyl)-1H-pyrrole-2-carboxylate)
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KZ4
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BU of 7kz4 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM705 (N-(1-(1H-1,2,4-triazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
Descriptor: 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KYY
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BU of 7kyy by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM697 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(6-(trifluoromethyl)-1H-indol-3-yl)-1H-pyrrole-2-carboxamide)
Descriptor: 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-09
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7L01
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BU of 7l01 by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM782 (N-(1-(5-cyano-1H-pyrazol-3-yl)ethyl)-3-methyl-4-(1-(6-(trifluoromethyl)pyridin-3-yl)cyclopropyl)-1H-pyrrole-2-carboxamide)
Descriptor: Dihydroorotate dehydrogenase (quinone), mitochondrial, FLAVIN MONONUCLEOTIDE, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-10
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
7KYV
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BU of 7kyv by Molmil
Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM634 (3-methyl-N-(1-(5-methylisoxazol-3-yl)ethyl)-4-(4-(trifluoromethyl)benzyl)-1H-pyrrole-2-carboxamide)
Descriptor: 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide, Dihydroorotate dehydrogenase (quinone), mitochondrial, ...
Authors:Deng, X, Phillips, M, Tomchick, D.
Deposit date:2020-12-08
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Potent Antimalarials with Development Potential Identified by Structure-Guided Computational Optimization of a Pyrrole-Based Dihydroorotate Dehydrogenase Inhibitor Series.
J.Med.Chem., 64, 2021
8USO
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BU of 8uso by Molmil
Full-length human CaMKII delta holoenzyme
Descriptor: MALONATE ION, calcium/calmodulin-dependent protein kinase
Authors:Ozden, C, Abromson, N.L, Tomchick, D.R, Stratton, M.M, Garman, S.C.
Deposit date:2023-10-28
Release date:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Full-length human CaMKII delta holoenzyme
To be published
6NIG
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BU of 6nig by Molmil
Crystal structure of the human TLR2-Diprovocim complex
Descriptor: (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de}, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Beutler, B.A, Tomchick, D.R, Su, L.
Deposit date:2018-12-27
Release date:2019-04-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Basis of TLR2/TLR1 Activation by the Synthetic Agonist Diprovocim.
J. Med. Chem., 62, 2019
3C17
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BU of 3c17 by Molmil
Hexagonal Crystal Structure of Precursor E. coli Isoaspartyl Peptidase/l-Asparaginase (ECAIII) with Active-site T179A mutation
Descriptor: CHLORIDE ION, L-asparaginase precursor, SODIUM ION
Authors:Michalska, K, Hernandez-Santoyo, A, Jaskolski, M.
Deposit date:2008-01-22
Release date:2008-04-01
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:The Mechanism of Autocatalytic Activation of Plant-type L-Asparaginases
J.Biol.Chem., 283, 2008
2GEZ
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BU of 2gez by Molmil
Crystal structure of potassium-independent plant asparaginase
Descriptor: CHLORIDE ION, L-asparaginase alpha subunit, L-asparaginase beta subunit, ...
Authors:Michalska, K, Bujacz, G, Jaskolski, M.
Deposit date:2006-03-21
Release date:2006-07-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of plant asparaginase.
J.Mol.Biol., 360, 2006
2UXX
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BU of 2uxx by Molmil
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
Descriptor: CHLORIDE ION, FAD-trans-2-Phenylcyclopropylamine Adduct, GLYCEROL, ...
Authors:Yang, M, Culhane, J.C, Machius, M, Cole, P.A, Yu, H.
Deposit date:2007-03-30
Release date:2007-08-21
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Structural Basis for the Inhibition of the Lsd1 Histone Demethylase by the Antidepressant Trans-2-Phenylcyclopropylamine.
Biochemistry, 46, 2007
2MYS
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BU of 2mys by Molmil
MYOSIN SUBFRAGMENT-1, ALPHA CARBON COORDINATES ONLY FOR THE TWO LIGHT CHAINS
Descriptor: MAGNESIUM ION, MYOSIN, SULFATE ION
Authors:Rayment, I, Holden, H.M.
Deposit date:1996-06-27
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Three-dimensional structure of myosin subfragment-1: a molecular motor.
Science, 261, 1993
1I84
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BU of 1i84 by Molmil
CRYO-EM STRUCTURE OF THE HEAVY MEROMYOSIN SUBFRAGMENT OF CHICKEN GIZZARD SMOOTH MUSCLE MYOSIN WITH REGULATORY LIGHT CHAIN IN THE DEPHOSPHORYLATED STATE. ONLY C ALPHAS PROVIDED FOR REGULATORY LIGHT CHAIN. ONLY BACKBONE ATOMS PROVIDED FOR S2 FRAGMENT.
Descriptor: SMOOTH MUSCLE MYOSIN ESSENTIAL LIGHT CHAIN, SMOOTH MUSCLE MYOSIN HEAVY CHAIN, SMOOTH MUSCLE MYOSIN REGULATORY LIGHT CHAIN
Authors:Wendt, T, Taylor, D, Trybus, K.M, Taylor, K.
Deposit date:2001-03-12
Release date:2001-03-28
Last modified:2022-12-21
Method:ELECTRON CRYSTALLOGRAPHY (20 Å)
Cite:Three-dimensional image reconstruction of dephosphorylated smooth muscle heavy meromyosin reveals asymmetry in the interaction between myosin heads and placement of subfragment 2.
Proc.Natl.Acad.Sci.USA, 98, 2001

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