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PDB: 42289 results

6O68
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BU of 6o68 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Ciglitazone
Descriptor: Ciglitazone, Peroxisome proliferator-activated receptor gamma
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ZQ4
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BU of 7zq4 by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+ and the oxidated catalytic cysteine
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Glyceraldehyde-3-phosphate dehydrogenase A, ...
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
Deposit date:2022-04-29
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
8QEF
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BU of 8qef by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola ATCC 8482 bound to novel ligand.
Descriptor: 1,2-ETHANEDIOL, Putative acetyl xylan esterase, beta-D-galactopyranuronic acid
Authors:Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L.
Deposit date:2023-08-31
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
7PIM
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BU of 7pim by Molmil
Partial structure of tyrosine hydroxylase lacking the first 35 residues in complex with dopamine.
Descriptor: FE (III) ION, L-DOPAMINE, Regulatory domain alpha-helix, ...
Authors:Bueno-Carrasco, M.T, Cuellar, J, Santiago, C, Valpuesta, J.M, Martinez, A, Flydal, M.I.
Deposit date:2021-08-20
Release date:2021-12-22
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Structural mechanism for tyrosine hydroxylase inhibition by dopamine and reactivation by Ser40 phosphorylation.
Nat Commun, 13, 2022
2JVB
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BU of 2jvb by Molmil
Solution Structure of Catalytic Domain of yDcp2
Descriptor: mRNA-decapping enzyme subunit 2
Authors:Deshmukh, M, Gross, J.
Deposit date:2007-09-16
Release date:2008-03-04
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:mRNA Decapping Is Promoted by an RNA-Binding Channel in Dcp2.
Mol.Cell, 29, 2008
5XBH
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BU of 5xbh by Molmil
Crystal structure of R145E mutant of thymidylate kinase (aq_969) from Aquifex Aeolicus VF5
Descriptor: Thymidylate kinase
Authors:Biswas, A, Jeyakanthan, J, Sekar, K.
Deposit date:2017-03-17
Release date:2017-06-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural studies of a hyperthermophilic thymidylate kinase enzyme reveal conformational substates along the reaction coordinate.
FEBS J., 284, 2017
8QCL
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BU of 8qcl by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Banerjee, S, Poulsen, J.N, Mazurkewich, S, Seveso, A, Larsbrink, J, Lo Leggio, L.
Deposit date:2023-08-27
Release date:2023-12-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
6O67
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BU of 6o67 by Molmil
Crystal Structure of Human PPARgamma Ligand Binding Domain in Complex with Mitoglitazone
Descriptor: Mitoglitazone, Peroxisome proliferator-activated receptor gamma, nonanoic acid
Authors:Shang, J, Kojetin, D.J.
Deposit date:2019-03-05
Release date:2019-11-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.52 Å)
Cite:Quantitative structural assessment of graded receptor agonism.
Proc.Natl.Acad.Sci.USA, 116, 2019
7ZQ3
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BU of 7zq3 by Molmil
Crystal structure of photosynthetic glyceraldehyde-3-phosphate dehydrogenase from Chlamydomonas reinhardtii (CrGAPA) complexed with NADP+
Descriptor: Glyceraldehyde-3-phosphate dehydrogenase A, chloroplastic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Fermani, S, Zaffagnini, M, Lemaire, S.D, Falini, G, Fanti, S, Rossi, J.
Deposit date:2022-04-29
Release date:2022-07-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural snapshots of nitrosoglutathione binding and reactivity underlying S-nitrosylation of photosynthetic GAPDH.
Redox Biol, 54, 2022
8Q6S
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BU of 8q6s by Molmil
A carbohydrate esterase family 15 (CE15) glucuronoyl esterase from Phocaeicola vulgatus ATCC 8482
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Putative acetyl xylan esterase, ...
Authors:Mazurkewich, S, Seveso, A, Banerjee, S, Lo Leggio, L, Larsbrink, J.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Polysaccharide utilization loci from Bacteroidota encode CE15 enzymes with possible roles in cleaving pectin-lignin bonds.
Appl.Environ.Microbiol., 90, 2024
4M7W
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BU of 4m7w by Molmil
Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767.
Descriptor: PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type
Authors:Malashkevich, V.N, Bhosle, R, Toro, R, Hillerich, B, Gizzi, A, Garforth, S, Kar, A, Chan, M.K, Lafluer, J, Patel, H, Matikainen, B, Chamala, S, Lim, S, Celikgil, A, Villegas, G, Evans, B, Love, J, Fiser, A, Khafizov, K, Seidel, R, Bonanno, J.B, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
Deposit date:2013-08-12
Release date:2013-08-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of purine nucleoside phosphorylase from Leptotrichia buccalis C-1013-b, NYSGRC Target 029767.
To be Published
7ZKJ
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BU of 7zkj by Molmil
CODH/ACS complex of C. hydrogenoformans
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ...
Authors:Ruickoldt, J, Jeoung, J.-H, Basak, Y, Domnik, L, Dobbek, H.
Deposit date:2022-04-13
Release date:2022-11-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:On the Kinetics of CO2 Reduction by Ni, Fe-CO Dehydrogenases
ACS Catal., 2022
7ZY0
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BU of 7zy0 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
6OAW
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BU of 6oaw by Molmil
Crystal structure of a CRISPR Cas-related protein
Descriptor: UNKNOWN ATOM OR ION, WYL1
Authors:Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
Deposit date:2019-03-18
Release date:2019-04-10
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system.
Nucleic Acids Res., 47, 2019
7ZY8
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BU of 7zy8 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 3-[3,5-bis(chloranyl)phenyl]propan-1-amine, ACETATE ION, Casein kinase II subunit alpha, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-24
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
6OBL
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BU of 6obl by Molmil
JAK2 JH2 in complex with JAK168
Descriptor: Tyrosine-protein kinase JAK2, [4-({5-amino-3-[(4-cyanophenyl)amino]-1H-1,2,4-triazole-1-carbonyl}amino)phenoxy]acetic acid
Authors:Krimmer, S.G, Liosi, M.E, Schlessinger, J, Jorgensen, W.L.
Deposit date:2019-03-21
Release date:2020-03-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.061 Å)
Cite:Selective Janus Kinase 2 (JAK2) Pseudokinase Ligands with a Diaminotriazole Core.
J.Med.Chem., 63, 2020
6TVJ
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BU of 6tvj by Molmil
Solution structure of PD-i3 peptide inhibitor of the human PD-1 extracellular domain
Descriptor: PD-i3 peptide
Authors:Guardiola, S, Varese, M, Garcia, J, Giralt, E.
Deposit date:2020-01-09
Release date:2021-01-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Target-templated de novo design of macrocyclic d-/l-peptides: discovery of drug-like inhibitors of PD-1.
Chem Sci, 12, 2021
3I90
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BU of 3i90 by Molmil
Crystal structure of human chromobox homolog 6 (CBX6) with H3K27 peptide
Descriptor: Chromobox protein homolog 6, H3K27 peptide
Authors:Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC)
Deposit date:2009-07-10
Release date:2009-09-08
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Recognition and specificity determinants of the human cbx chromodomains.
J.Biol.Chem., 286, 2011
5XGB
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BU of 5xgb by Molmil
Crystal structure of the PAS-GGDEF-EAL domain of PA0861 from Pseudomonas aeruginosa
Descriptor: Uncharacterized protein
Authors:Liu, C, Liew, C.W, Sreekanth, R, Lescar, J.
Deposit date:2017-04-13
Release date:2017-12-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Insights into Biofilm Dispersal Regulation from the Crystal Structure of the PAS-GGDEF-EAL Region of RbdA from Pseudomonas aeruginosa.
J. Bacteriol., 200, 2018
3M4F
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BU of 3m4f by Molmil
Structural insights into the acidophilic pH adaptation of a novel endo-1,4-beta-xylanase from Scytalidium acidophilum
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, Endo-1,4-beta-xylanase
Authors:Michaux, C, Wouters, J.
Deposit date:2010-03-11
Release date:2010-07-28
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural insights into the acidophilic pH adaptation of a novel endo-1,4-beta-xylanase from Scytalidium acidophilum
Biochimie, 92, 2010
8QO1
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BU of 8qo1 by Molmil
Asymmetric structure of the Borrelia bacteriophage BB1 procapsid, 3D class 3
Descriptor: Cytosolic protein, DUF228 domain-containing protein, Decoration protein P03, ...
Authors:Rumnieks, J, Fuzik, T, Tars, K.
Deposit date:2023-10-11
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (9.76 Å)
Cite:Structure of the Borrelia Bacteriophage phi BB1 Procapsid.
J.Mol.Biol., 435, 2023
7ZY5
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BU of 7zy5 by Molmil
Crystal structure of compound 2 bound to CK2alpha
Descriptor: 1-NAPHTHOL, ACETATE ION, Casein kinase II subunit alpha
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
7ZY2
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BU of 7zy2 by Molmil
Crystal structure of compound 7 bound to CK2alpha
Descriptor: 5-bromanyl-1~{H}-indole, ACETATE ION, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Brear, P, Fusco, C, Atkinson, E, Rossmann, M, Francis, N, Iegre, J, Hyvonen, M, Spring, D.
Deposit date:2022-05-23
Release date:2022-10-12
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:A fragment-based approach leading to the discovery of inhibitors of CK2 alpha with a novel mechanism of action.
Rsc Med Chem, 13, 2022
5XK6
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BU of 5xk6 by Molmil
Structure of a prenyltransferase soaked with IPP
Descriptor: MAGNESIUM ION, PYROPHOSPHATE 2-, SULFATE ION, ...
Authors:Ko, T.P, Guo, R.T, Liu, W, Chen, C.C, Gao, J.
Deposit date:2017-05-05
Release date:2018-01-17
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:"Head-to-Middle" and "Head-to-Tail" cis-Prenyl Transferases: Structure of Isosesquilavandulyl Diphosphate Synthase.
Angew. Chem. Int. Ed. Engl., 57, 2018
6OI8
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BU of 6oi8 by Molmil
Crystal Structure of Haemophilus Influenzae Biotin Carboxylase Complexed with 7-((1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine
Descriptor: 1,2-ETHANEDIOL, 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine, Biotin carboxylase
Authors:Andrews, L.D, Kane, T.R, Dozzo, P, Haglund, C.M, Hilderbrandt, D.J, Linsell, M.S, Machajewski, T, McEnroe, G, Serio, A.W, Wlasichuk, K.B, Neau, D.B, Pakhomova, S, Waldrop, G.L, Sharp, M, Pogliano, J, Cirz, R, Cohen, F.
Deposit date:2019-04-09
Release date:2019-07-31
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase.
J.Med.Chem., 62, 2019

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