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PDB: 12920 results

6XO2
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BU of 6xo2 by Molmil
Structural Characterization of Beta Cyanoalanine Synthase from Tetranychus Urticae (two-spotted spider mite)
Descriptor: ACETATE ION, Beta-cyanoalanine synthase, PYRIDOXAL-5'-PHOSPHATE
Authors:Daneshian, L, Schlachter, C, Dermauw, W, Wybouw, N, Van Leeuwen, T, Chruszcz, M.
Deposit date:2020-07-06
Release date:2021-05-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural and functional characterization of beta-cyanoalanine synthase from Tetranychus urticae.
Insect Biochem.Mol.Biol., 142, 2022
7NBW
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BU of 7nbw by Molmil
Crystal structure of PqsR (MvfR) ligand-binding domain in complex with a pyridin agonist
Descriptor: Transcriptional regulator MvfR, ~{N}-[3-(4-fluorophenyl)prop-2-ynyl]-2-(trifluoromethyl)pyridin-4-amine
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2021-01-28
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Divergent synthesis and biological evaluation of 2-(trifluoromethyl)pyridines as virulence-attenuating inverse agonists targeting PqsR.
Eur.J.Med.Chem., 226, 2021
2X3C
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BU of 2x3c by Molmil
AsaP1 inactive mutant E294Q, an extracellular toxic zinc metalloendopeptidase
Descriptor: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
Authors:Bogdanovic, X, Palm, G.J, Singh, R.K, Hinrichs, W.
Deposit date:2010-01-22
Release date:2011-02-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Structural Evidence of Intramolecular Propeptide Inhibition of the Aspzincin Metalloendopeptidase Asap1.
FEBS Lett., 590, 2016
3LVX
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BU of 3lvx by Molmil
Crystal structure of human alpha-defensin 1 (I6A mutant)
Descriptor: GLYCEROL, Neutrophil defensin 1, SULFATE ION
Authors:Pazgier, M, Lu, W.
Deposit date:2010-02-22
Release date:2010-03-09
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Trp-26 imparts functional versatility to human alpha-defensin HNP1.
J.Biol.Chem., 285, 2010
3LXH
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BU of 3lxh by Molmil
Crystal Structure of Cytochrome P450 CYP101D1
Descriptor: 1,4-DIETHYLENE DIOXIDE, Cytochrome P450, PHOSPHATE ION, ...
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
6XN8
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BU of 6xn8 by Molmil
Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
Descriptor: 2-hydroxyacyl-CoA lyase 1, 2-{3-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-4-METHYL-2-OXO-2,3-DIHYDRO-1,3-THIAZOL-5-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Miller, M.D, Xu, W, Olmos Jr, J.L, Chou, A, Clomburg, J.M, Gonzalez, R, Philips Jr, G.N.
Deposit date:2020-07-02
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal Structure of 2-hydroxyacyl CoA lyase (HACL) from Rhodospirillales bacterium URHD0017
To Be Published
3LU1
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BU of 3lu1 by Molmil
Crystal Structure Analysis of WbgU: a UDP-GalNAc 4-epimerase
Descriptor: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bhatt, V.S, Guo, C.Y, Zhao, G, Yi, W, Liu, Z.J, Wang, P.G.
Deposit date:2010-02-16
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Altered architecture of substrate binding region defines the unique specificity of UDP-GalNAc 4-epimerases.
Protein Sci., 20, 2011
6XOW
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BU of 6xow by Molmil
CryoEM structure of human presequence protease in partial close state 2, induced by presequence of citrate synthase
Descriptor: Presequence protease, mitochondrial
Authors:Liang, W.G, Tang, W.
Deposit date:2020-07-07
Release date:2021-07-07
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:CryoEM structure of human presequence protease in partial open state 2, induced by presequence of citrate synthase
To Be Published
1CD2
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BU of 1cd2 by Molmil
LIGAND INDUCED CONFORMATIONAL CHANGES IN THE CRYSTAL STRUCTURES OF PNEUMOCYSTIS CARINII DIHYDROFOLATE REDUCTASE COMPLEXES WITH FOLATE AND NADP+
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Cody, V, Galitsky, N, Luft, J.R, Pangborn, W, Blakley, R.L, Gangjee, A.
Deposit date:1999-03-05
Release date:2000-03-06
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Ligand-induced conformational changes in the crystal structures of Pneumocystis carinii dihydrofolate reductase complexes with folate and NADP+.
Biochemistry, 38, 1999
6XOD
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BU of 6xod by Molmil
Crystal structure of the PEX4-PEX22 protein complex from Arabidopsis thaliana
Descriptor: Peroxisome biogenesis protein 22, Protein PEROXIN-4
Authors:Olmos Jr, J.L, Bradford, S.E, Miller, M.D, Xu, W, Wright, Z.J, Bartel, B, Phillips Jr, G.N.
Deposit date:2020-07-06
Release date:2021-07-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:The Structure of the Arabidopsis PEX4-PEX22 Peroxin Complex-Insights Into Ubiquitination at the Peroxisomal Membrane
Front Cell Dev Biol, 10, 2022
7N3L
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BU of 7n3l by Molmil
Co-complex CYP46A1 with 0420 (compound 6)
Descriptor: 1,2-ETHANEDIOL, Cholesterol 24-hydroxylase, GLYCEROL, ...
Authors:Lane, W, Yano, J.
Deposit date:2021-06-01
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.631 Å)
Cite:Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
7N3M
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BU of 7n3m by Molmil
Co-complex CYP46A1 with 0431 (compound 17)
Descriptor: Cholesterol 24-hydroxylase, N,N-dimethyl-1-[4-(4-methyl-1H-pyrazol-1-yl)pyridin-3-yl]piperidine-4-carboxamide, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lane, W, Yano, J.
Deposit date:2021-06-01
Release date:2022-02-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Discovery of Novel 3-Piperidinyl Pyridine Derivatives as Highly Potent and Selective Cholesterol 24-Hydroxylase (CH24H) Inhibitors.
J.Med.Chem., 65, 2022
3LXD
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BU of 3lxd by Molmil
Crystal Structure of Ferredoxin Reductase ArR from Novosphingobium aromaticivorans
Descriptor: FAD-dependent pyridine nucleotide-disulphide oxidoreductase, FLAVIN-ADENINE DINUCLEOTIDE
Authors:Yang, W, Bell, S.G, Wang, H, Bartlam, M, Wong, L.L, Rao, Z.
Deposit date:2010-02-25
Release date:2010-06-23
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular characterization of a class I P450 electron transfer system from Novosphingobium aromaticivorans DSM12444
J.Biol.Chem., 285, 2010
8K5Q
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BU of 8k5q by Molmil
Crystal structure of YajQ STM0435 with c-di-GMP
Descriptor: 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), YajQ
Authors:Dai, Y, Zhang, M, Wang, W, Li, B.
Deposit date:2023-07-23
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
7NKE
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BU of 7nke by Molmil
Crystal structure of human RXRalpha ligand binding domain in complex with 2,4-di-tert-butylphenol and a coactivator fragment
Descriptor: 2,4-di~{tert}-butylphenol, FORMIC ACID, Nuclear receptor coactivator 2, ...
Authors:Carivenc, C, Bourguet, W.
Deposit date:2021-02-17
Release date:2022-03-02
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:2,4-Di-tert-butylphenol Induces Adipogenesis in Human Mesenchymal Stem Cells by Activating Retinoid X Receptors.
Endocrinology, 164, 2023
6X6N
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BU of 6x6n by Molmil
NMR structure of the putative GTPase-Activating (GAP) domain of VopE
Descriptor: Outer membrane virulence protein yopE
Authors:Smith, K.P, Lee, W, Tonelli, M.
Deposit date:2020-05-28
Release date:2021-12-22
Last modified:2024-05-15
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure and dynamics of the mitochondrial-targeted GTPase-activating protein (GAP) VopE by an integrated NMR/SAXS approach.
Protein Sci., 31, 2022
3QPH
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BU of 3qph by Molmil
The three-dimensional structure of TrmB, a global transcriptional regulator of the hyperthermophilic archaeon Pyrococcus furiosus in complex with sucrose
Descriptor: ACETATE ION, GLYCEROL, TrmB, ...
Authors:Krug, M, Lee, S.-J, Boos, W, Welte, W, Diederichs, K.
Deposit date:2011-02-13
Release date:2012-05-30
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.992 Å)
Cite:The three-dimensional structure of TrmB, a transcriptional regulator of dual function in the hyperthermophilic archaeon Pyrococcus furiosus in complex with sucrose.
Protein Sci., 22, 2013
8K4I
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BU of 8k4i by Molmil
Crystal structure of YajQ STM0435
Descriptor: YajQ
Authors:Dai, Y, Zhang, M, Wang, W, Li, B.
Deposit date:2023-07-19
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:A c-di-GMP binding effector STM0435 modulates flagellar motility and pathogenicity in Salmonella
Virulence, 15, 2024
6YA1
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BU of 6ya1 by Molmil
Zinc metalloprotease ProA
Descriptor: ACETATE ION, CALCIUM ION, ZINC ION, ...
Authors:Schmelz, S, Blankenfeldt, W.
Deposit date:2020-03-11
Release date:2021-02-03
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Zinc metalloprotease ProA of Legionella pneumophila increases alveolar septal thickness in human lung tissue explants by collagen IV degradation.
Cell.Microbiol., 23, 2021
6YAA
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BU of 6yaa by Molmil
Structure of the (SR) Ca2+-ATPase bound to the inhibitor compound CAD204520 and TNP-ATP
Descriptor: 4-[2-[(2~{R})-2-[3-propyl-6-(trifluoromethyloxy)-1~{H}-indol-2-yl]piperidin-1-yl]ethyl]morpholine, POTASSIUM ION, SPIRO(2,4,6-TRINITROBENZENE[1,2A]-2O',3O'-METHYLENE-ADENINE-TRIPHOSPHATE, ...
Authors:Heit, S, Marchesini, M, Gherli, A, Montanaro, A, Patrizi, L, Sorrentino, C, Pagliaro, L, Rompietti, C, Kitara, S, Olesen, C.E, Moller, J.V, Savi, M, Bocchi, L, Vilella, R, Rizzi, F, Baglione, M, Rastelli, G, Loiacona, C, La Starza, R, Mecucci, C, Stegmair, K, Aversa, F, Stilli, D, Lund Winther, A.M, Sportoletti, P, Dalby-Brown, W, Roti, G, Bublitz, M.
Deposit date:2020-03-11
Release date:2020-05-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Blockade of Oncogenic NOTCH1 with the SERCA Inhibitor CAD204520 in T Cell Acute Lymphoblastic Leukemia.
Cell Chem Biol, 27, 2020
7N4T
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BU of 7n4t by Molmil
Low conductance mechanosensitive channel YnaI
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, Low conductance mechanosensitive channel YnaI
Authors:Catalano, C, Ben-Hail, D, Qiu, W, des Georges, A, Guo, Y.
Deposit date:2021-06-04
Release date:2022-04-20
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Cryo-EM Structure of Mechanosensitive Channel YnaI Using SMA2000: Challenges and Opportunities.
Membranes (Basel), 11, 2021
7N4Z
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BU of 7n4z by Molmil
Complex structure of NOS4 with noscapine
Descriptor: NOS4, SULFATE ION, noscapine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N53
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BU of 7n53 by Molmil
Complex structure of PAP4 with papaverine
Descriptor: 1-(3,4-DIMETHOXYBENZYL)-6,7-DIMETHOXYISOQUINOLINE, GLYCEROL, PAP4, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N4W
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BU of 7n4w by Molmil
Complex structure of ROTU4 with rotundine
Descriptor: GLYCEROL, ROTU4, SULFATE ION, ...
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022
7N54
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BU of 7n54 by Molmil
Complex structure of GLAU4 with glaucine
Descriptor: GLAU4, SULFATE ION, glaucine
Authors:Kim, W, Zhang, Y.
Deposit date:2021-06-04
Release date:2022-06-29
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Using fungible biosensors to evolve improved alkaloid biosyntheses.
Nat.Chem.Biol., 18, 2022

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