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5N0E
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BU of 5n0e by Molmil
Crystal structure of human carbonic anhydrase II in complex with (S)-4-(6,7-dihydroxy-1-phenyl-3,4-tetrahydroisoquinoline-1H-2-carbonyl)benzenesulfonamide.
Descriptor: 4-[[(1~{S})-6,7-bis(oxidanyl)-1-phenyl-3,4-dihydro-1~{H}-isoquinolin-2-yl]carbonyl]benzenesulfonamide, Carbonic anhydrase 2, ZINC ION
Authors:Di Fiore, A, De Simone, G.
Deposit date:2017-02-02
Release date:2017-05-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Probing Molecular Interactions between Human Carbonic Anhydrases (hCAs) and a Novel Class of Benzenesulfonamides.
J. Med. Chem., 60, 2017
6IN8
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BU of 6in8 by Molmil
Crystal structure of MucB
Descriptor: Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
5V0S
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BU of 5v0s by Molmil
Crystal structure of the ACT domain of prephenate dehydrogenase tyrA from Bacillus anthracis
Descriptor: CALCIUM ION, Prephenate dehydrogenase, SULFATE ION
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Otwinowski, Z, Kwon, K, Christendat, D, Gritsunov, A, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-28
Release date:2017-03-08
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
6LR9
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BU of 6lr9 by Molmil
HSP90 in complex with Debio0932
Descriptor: 2-[[6-(dimethylamino)-1,3-benzodioxol-5-yl]sulfanyl]-1-[2-(2,2-dimethylpropylamino)ethyl]imidazo[4,5-c]pyridin-4-amine, GLYCEROL, Heat shock protein HSP 90-alpha
Authors:Cao, H.L.
Deposit date:2020-01-15
Release date:2021-01-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.196 Å)
Cite:Complex crystal structure determination and anti-non-small-cell lung cancer activity of the Hsp90 N inhibitor Debio0932.
Acta Crystallogr D Struct Biol, 77, 2021
6H36
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BU of 6h36 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-(4-phenylpiperidine-1-carbonyl)benzenesulfonamide.
Descriptor: 4-(4-phenylpiperidin-1-yl)carbonylbenzenesulfonamide, Carbonic anhydrase 7, ZINC ION
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6LTK
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BU of 6ltk by Molmil
HSP90 in complex with SNX-2112
Descriptor: 4-[6,6-dimethyl-4-oxidanylidene-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-2-[(4-oxidanylcyclohexyl)amino]benzamide, Heat shock protein HSP 90-alpha
Authors:Cao, H.L.
Deposit date:2020-01-22
Release date:2021-01-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.141 Å)
Cite:Complex Crystal Structure Determination and in vitro Anti-non-small Cell Lung Cancer Activity of Hsp90 N Inhibitor SNX-2112.
Front Cell Dev Biol, 9, 2021
6H38
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BU of 6h38 by Molmil
The crystal structure of human carbonic anhydrase VII in complex with 4-[(4-fluorophenyl)methyl]-1-piperazinyl]benzenesulfonamide.
Descriptor: 4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]carbonylbenzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ...
Authors:Buemi, M.R, Di Fiore, A, De Luca, L, Ferro, S, Mancuso, F, Monti, S.M, Buonanno, M, Angeli, A, Russo, E, De Sarro, G, Supuran, C.T, De Simone, G, Gitto, R.
Deposit date:2018-07-17
Release date:2018-12-19
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring structural properties of potent human carbonic anhydrase inhibitors bearing a 4-(cycloalkylamino-1-carbonyl)benzenesulfonamide moiety.
Eur J Med Chem, 163, 2018
6KG1
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BU of 6kg1 by Molmil
NifS from Helicobacter pylori, soaked with L-cysteine for 180 sec
Descriptor: 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID, CHLORIDE ION, Cysteine desulfurase IscS, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2019-07-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
6KG0
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BU of 6kg0 by Molmil
NifS from Helicobacter pylori, soaked with L-cysteine for 118 sec
Descriptor: CHLORIDE ION, Cysteine desulfurase IscS, ISOPROPYL ALCOHOL, ...
Authors:Nakamura, R, Takahashi, Y, Fujishiro, T.
Deposit date:2019-07-09
Release date:2019-10-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Snapshots of PLP-substrate and PLP-product external aldimines as intermediates in two types of cysteine desulfurase enzymes.
Febs J., 287, 2020
9FCH
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BU of 9fch by Molmil
P116 dimer in the full state (PDB structure of the full-length ectodomain truncated to amino acids 246-818)
Descriptor: Uncharacterized protein MG075 homolog
Authors:Mager, S.
Deposit date:2024-05-15
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (6.52 Å)
Cite:P116 from Mycoplasma is a self-sufficient lipid uptake and delivery machinery
To Be Published
5KK3
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BU of 5kk3 by Molmil
Atomic Resolution Structure of Monomorphic AB42 Amyloid Fibrils
Descriptor: Beta-amyloid protein 42
Authors:Colvin, M.T, Silvers, R, Zhe Ni, Q, Can, T.V, Sergeyev, I, Rosay, M, Donovan, K.J, Michael, B, Wall, J, Linse, S, Griffin, R.G.
Deposit date:2016-06-20
Release date:2016-07-13
Last modified:2024-05-01
Method:SOLID-STATE NMR
Cite:Atomic Resolution Structure of Monomorphic A beta 42 Amyloid Fibrils.
J.Am.Chem.Soc., 138, 2016
5UYY
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BU of 5uyy by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with L-tyrosine
Descriptor: Prephenate dehydrogenase, TYROSINE
Authors:Shabalin, I.G, Hou, J, Cymborowski, M.T, Kwon, K, Christendat, D, Gritsunov, A.O, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2017-02-24
Release date:2017-03-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
4ZSU
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BU of 4zsu by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3aG
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-14
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
6IN9
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BU of 6in9 by Molmil
Crystal structure of MucB in complex with MucA(peri)
Descriptor: Sigma factor AlgU negative regulatory protein, Sigma factor AlgU regulatory protein MucB
Authors:Li, S, Zhang, Q, Bartlam, M.
Deposit date:2018-10-24
Release date:2019-07-24
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.801 Å)
Cite:Structural basis for the recognition of MucA by MucB and AlgU in Pseudomonas aeruginosa.
Febs J., 286, 2019
6ROA
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BU of 6roa by Molmil
Crystal structure of V57G mutant of human cystatin C
Descriptor: Cystatin-C
Authors:Orlikowska, M, Behrendt, I, Borek, D, Otwinowski, Z, Skowron, P, Szymanska, A.
Deposit date:2019-05-10
Release date:2019-08-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:NMR and crystallographic structural studies of the extremely stable monomeric variant of human cystatin C with single amino acid substitution.
Febs J., 287, 2020
6ICR
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BU of 6icr by Molmil
LdCoroCC mutant- C482A
Descriptor: 1,2-ETHANEDIOL, Coronin-like protein
Authors:Karade, S.S, Srivastava, V.K, Ansari, A, Pratap, J.V.
Deposit date:2018-09-06
Release date:2019-10-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Molecular and structural analysis of a mechanical transition of helices in the L. donovani coronin coiled-coil domain.
Int.J.Biol.Macromol., 143, 2020
4ZST
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BU of 4zst by Molmil
Crystal structure of Brevundimonas diminuta phosphotriesterase mutant L7eP-3a
Descriptor: COBALT (II) ION, Parathion hydrolase
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2015-05-13
Release date:2015-09-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Variants of Phosphotriesterase for the Enhanced Detoxification of the Chemical Warfare Agent VR.
Biochemistry, 54, 2015
5VET
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BU of 5vet by Molmil
PHOSPHOLIPASE A2, RE-REFINEMENT OF THE PDB STRUCTURE 1JQ8 WITHOUT THE PUTATIVE COMPLEXED OLIGOPEPTIDE
Descriptor: Phospholipase A2 VRV-PL-VIIIa
Authors:Wlodawer, A, Dauter, Z, Minor, W, Stanfield, R, Porebski, P, Jaskolski, M, Pozharski, E, Weichenberger, C.X, Rupp, B.
Deposit date:2017-04-05
Release date:2018-06-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detect, correct, retract: How to manage incorrect structural models.
FEBS J., 285, 2018
6KLK
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BU of 6klk by Molmil
Crystal structure of the Pseudomonas aeruginosa dihydropyrimidinase complexed with 5-FU
Descriptor: 5-FLUOROURACIL, D-hydantoinase/dihydropyrimidinase, ZINC ION
Authors:Huang, Y.H, Chen, I.C, Huang, C.Y.
Deposit date:2019-07-30
Release date:2019-11-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.759 Å)
Cite:Crystal structure of dihydropyrimidinase in complex with anticancer drug 5-fluorouracil.
Biochem.Biophys.Res.Commun., 519, 2019
6LJ3
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BU of 6lj3 by Molmil
full length ASFV dUTPase in complex with alpha,beta-iminodUTP and magnesium ion
Descriptor: 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, E165R, MAGNESIUM ION
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-13
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LJO
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BU of 6ljo by Molmil
African swine fever virus dUTPase
Descriptor: E165R
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-17
Release date:2020-11-11
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
6LIS
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BU of 6lis by Molmil
ASFV dUTPase in complex with dUMP
Descriptor: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, E165R
Authors:Liang, R, Peng, G.Q.
Deposit date:2019-12-12
Release date:2020-11-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Structural comparisons of host and African swine fever virus dUTPases reveal new clues for inhibitor development.
J.Biol.Chem., 296, 2020
7LK3
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BU of 7lk3 by Molmil
Crystal structure of untwinned human GABARAPL2
Descriptor: 1,2-ETHANEDIOL, Gamma-aminobutyric acid receptor-associated protein-like 2
Authors:Scicluna, K, Dewson, G, Czabotar, P.E, Birkinshaw, R.W.
Deposit date:2021-02-01
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A new crystal form of GABARAPL2.
Acta Crystallogr.,Sect.F, 77, 2021
3F5E
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BU of 3f5e by Molmil
Crystal structure of Toxoplasma gondii micronemal protein 1 bound to 2'F-3'SiaLacNAc1-3
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Garnett, J.A, Liu, Y, Feizi, T, Matthews, S.J.
Deposit date:2008-11-03
Release date:2009-07-28
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detailed insights from microarray and crystallographic studies into carbohydrate recognition by microneme protein 1 (MIC1) of Toxoplasma gondii.
Protein Sci., 18, 2009
7L5F
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BU of 7l5f by Molmil
Crystal Structure of N-(2-oxocyclobutyl) decanamide Bound AiiA-Co
Descriptor: 4-(decanoylamino)butanoic acid, COBALT (II) ION, GLYCEROL, ...
Authors:Mascarenhas, R.N, Liu, D.
Deposit date:2020-12-22
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Cyclobutanone Inhibitor of Cobalt-Functionalized Metallo-gamma-Lactonase AiiA with Cyclobutanone Ring Opening in the Active Site.
Acs Omega, 6, 2021

238268

数据于2025-07-02公开中

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