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7EAL
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BU of 7eal by Molmil
The structure of the A20-Binding Inhibitor of NF-kB 1 in complex with di-ubiquitin
Descriptor: GLYCEROL, TNFAIP3-interacting protein 1, ubiquitin
Authors:Lo, Y.C, Lin, S.C.
Deposit date:2021-03-07
Release date:2021-07-21
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and Biochemical Basis for Higher-Order Assembly between A20-Binding Inhibitor of NF-kappa B 1 (ABIN1) and M1-Linked Ubiquitins.
J.Mol.Biol., 433, 2021
5W4D
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BU of 5w4d by Molmil
C. japonica N-domain, Selenomethionine mutant
Descriptor: 1,2-ETHANEDIOL, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, CHLORIDE ION, ...
Authors:Aoki, S.T, Bingman, C.A, Kimble, J.
Deposit date:2017-06-10
Release date:2018-06-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:C. elegans germ granules require both assembly and localized regulators for mRNA repression.
Nat Commun, 12, 2021
1YIQ
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BU of 1yiq by Molmil
Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADHIIG from Pseudomonas putida HK5. Compariison to the other quinohemoprotein alcohol dehydrogenase ADHIIB found in the same microorganism.
Descriptor: CALCIUM ION, HEME C, PYRROLOQUINOLINE QUINONE, ...
Authors:Toyama, H, Chen, Z.W, Fukumoto, M, Adachi, O, Matsushita, K, Mathews, F.S.
Deposit date:2005-01-12
Release date:2005-08-16
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase ADH-IIG from Pseudomonas putida HK5
J.Mol.Biol., 352, 2005
6PW0
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BU of 6pw0 by Molmil
Cytochrome C oxidase delta 6 mutant
Descriptor: (2S,3R)-heptane-1,2,3-triol, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CADMIUM ION, ...
Authors:Liu, J, Ferguson-Miller, S.
Deposit date:2019-07-21
Release date:2019-11-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural changes at the surface of cytochrome c oxidase alter the proton-pumping stoichiometry.
Biochim Biophys Acta Bioenerg, 1861, 2019
3HUD
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BU of 3hud by Molmil
THE STRUCTURE OF HUMAN BETA 1 BETA 1 ALCOHOL DEHYDROGENASE: CATALYTIC EFFECTS OF NON-ACTIVE-SITE SUBSTITUTIONS
Descriptor: ALCOHOL DEHYDROGENASE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ZINC ION
Authors:Hurley, T.D, Bosron, W.F, Hamilton, J.A, Amzel, L.M.
Deposit date:1993-01-04
Release date:1994-01-31
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structure of human beta 1 beta 1 alcohol dehydrogenase: catalytic effects of non-active-site substitutions.
Proc.Natl.Acad.Sci.USA, 88, 1991
7L0C
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BU of 7l0c by Molmil
Ligand-free PTP1B T177G
Descriptor: Tyrosine-protein phosphatase non-receptor type 1
Authors:Shen, R.D, Hengge, A.C, Johnson, S.J.
Deposit date:2020-12-11
Release date:2021-05-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Single Residue on the WPD-Loop Affects the pH Dependency of Catalysis in Protein Tyrosine Phosphatases.
Jacs Au, 1, 2021
5W8F
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BU of 5w8f by Molmil
Crystal structure of human Mcl-1 in complex with modified Bim BH3 peptide SAH-MS1-14
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, ZINC ION, modified Bim BH3 peptide SAH-MS1-14
Authors:Rezaei Araghi, R, Jenson, J.M, Grant, R.A, Keating, A.E.
Deposit date:2017-06-21
Release date:2018-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Iterative optimization yields Mcl-1-targeting stapled peptides with selective cytotoxicity to Mcl-1-dependent cancer cells.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4GJ1
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BU of 4gj1 by Molmil
Crystal structure of 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (hisA).
Descriptor: 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase
Authors:Nocek, B, Gu, M, Kwon, K, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2012-08-09
Release date:2012-08-22
Last modified:2024-11-27
Method:X-RAY DIFFRACTION (2.152 Å)
Cite:Crystal structure of 1-(5-phosphoribosyl)-5-[(5-phosphoribosylamino)methylideneamino] imidazole-4-carboxamide isomerase (hisA).
To be Published
5WRM
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BU of 5wrm by Molmil
Mu2 subunit of the clathrin adaptor complex AP2 in complex with IRS-1 Y658 peptide
Descriptor: AP-2 complex subunit mu, Insulin receptor substrate 1
Authors:Yoneyama, Y, Niwa, H, Umehara, T, Yokoyama, S, Hakuno, F, Takahashi, S.
Deposit date:2016-12-02
Release date:2017-12-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.597 Å)
Cite:IRS-1 acts as an endocytic regulator of IGF-I receptor to facilitate sustained IGF signaling
Elife, 7, 2018
3AK3
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BU of 3ak3 by Molmil
Superoxide dismutase from Aeropyrum pernix K1, Fe-bound form
Descriptor: 1,2-ETHANEDIOL, FE (III) ION, Superoxide dismutase [Mn/Fe]
Authors:Nakamura, T, Uegaki, K.
Deposit date:2010-06-30
Release date:2011-02-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal structure of the cambialistic superoxide dismutase from Aeropyrum pernix K1 - insights into the enzyme mechanism and stability
Febs J., 278, 2011
6MBO
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BU of 6mbo by Molmil
GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form
Descriptor: 1,2-ETHANEDIOL, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Horton, J.R, Cheng, X.
Deposit date:2018-08-30
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.591 Å)
Cite:Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.
J. Med. Chem., 62, 2019
6MC1
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BU of 6mc1 by Molmil
Structure of MAP kinase phosphatase 5 in complex with 3,3-dimethyl-1-((9-(methylthio)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl)thio)butan-2-one, an allosteric inhibitor
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, 3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one, ACETATE ION, ...
Authors:Gannam, Z.T.K, Anderson, K.S, Bennett, A.M, Lolis, E.
Deposit date:2018-08-30
Release date:2020-08-19
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An allosteric site on MKP5 reveals a strategy for small-molecule inhibition.
Sci.Signal., 13, 2020
1MXR
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BU of 1mxr by Molmil
High resolution structure of Ribonucleotide reductase R2 from E. coli in its oxidised (Met) form
Descriptor: FE (III) ION, GLYCEROL, MERCURY (II) ION, ...
Authors:Andersson, M.A, Hogbom, M, Nordlund, P.
Deposit date:2002-10-03
Release date:2003-03-25
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Displacement of the tyrosyl radical cofactor in ribonucleotide reductase obtained by single-crystal high-field EPR and 1.4-A x-ray data.
Proc.Natl.Acad.Sci.Usa, 100, 2003
7M13
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BU of 7m13 by Molmil
Crystal structure of CJ1428, a GDP-D-GLYCERO-L-GLUCO-HEPTOSE SYNTHASE from campylobacter jejuni in the presence of NADPH
Descriptor: 1,2-ETHANEDIOL, GDP-L-fucose synthase, MAGNESIUM ION, ...
Authors:Anderson, T.K, Thoden, J.B, Raushel, F.M, Holden, H.M.
Deposit date:2021-03-12
Release date:2021-03-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Biosynthesis of d- glycero -l- gluco -Heptose in the Capsular Polysaccharides of Campylobacter jejuni .
Biochemistry, 60, 2021
3O7M
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BU of 3o7m by Molmil
1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Hypoxanthine phosphoribosyltransferase, ...
Authors:Halavaty, A.S, Minasov, G, Shuvalova, L, Dubrovska, I, Winsor, J, Papazisi, L, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-07-30
Release date:2010-09-01
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:1.98 Angstrom resolution crystal structure of a hypoxanthine-guanine phosphoribosyltransferase (hpt-2) from Bacillus anthracis str. 'Ames Ancestor'
TO BE PUBLISHED
5XD0
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BU of 5xd0 by Molmil
Apo Structure of Beta-1,3-1,4-glucanase from Paenibacillus sp.X4
Descriptor: DI(HYDROXYETHYL)ETHER, Glucanase, TRIETHYLENE GLYCOL
Authors:Baek, S.C, Ho, T.-H, Kang, L.-W, Kim, H.
Deposit date:2017-03-24
Release date:2017-04-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Improvement of enzyme activity of beta-1,3-1,4-glucanase from Paenibacillus sp. X4 by error-prone PCR and structural insights of mutated residues.
Appl. Microbiol. Biotechnol., 101, 2017
1U17
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BU of 1u17 by Molmil
1.7 A Crystal structure of H60C mutant of Nitrophorin I. Heme complexed with two molecules imidazole
Descriptor: IMIDAZOLE, Nitrophorin 1, PHOSPHATE ION, ...
Authors:Vetter, S.W, Goodin, D.B.
Deposit date:2004-07-14
Release date:2005-07-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:1.7 A Crystal structure of H60C mutant of Nitrophorin I. Heme complexed with two molecules imidazole
TO BE PUBLISHED
1TPH
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BU of 1tph by Molmil
1.8 ANGSTROMS CRYSTAL STRUCTURE OF WILD TYPE CHICKEN TRIOSEPHOSPHATE ISOMERASE-PHOSPHOGLYCOLOHYDROXAMATE COMPLEX
Descriptor: PHOSPHOGLYCOLOHYDROXAMIC ACID, TRIOSEPHOSPHATE ISOMERASE
Authors:Zhang, Z, Sugio, S, Komives, E.A, Liu, K.D, Knowles, J.R, Petsko, G.A, Ringe, D.
Deposit date:1993-12-22
Release date:1994-04-30
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structure of recombinant chicken triosephosphate isomerase-phosphoglycolohydroxamate complex at 1.8-A resolution.
Biochemistry, 33, 1994
5XCZ
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BU of 5xcz by Molmil
Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium in complex with cellobiose at 2.1 angstrom
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glucanase, beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Tachioka, M, Nakamura, A, Ishida, T, Igarashi, K, Samejima, M.
Deposit date:2017-03-24
Release date:2017-07-26
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of a family 6 cellobiohydrolase from the basidiomycete Phanerochaete chrysosporium
Acta Crystallogr F Struct Biol Commun, 73, 2017
4G31
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BU of 4g31 by Molmil
Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
Descriptor: 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone, Eukaryotic translation initiation factor 2-alpha kinase 3, GLYCEROL
Authors:Gampe, R.T, Axten, J.M.
Deposit date:2012-07-13
Release date:2012-08-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).
J.Med.Chem., 55, 2012
5TVM
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BU of 5tvm by Molmil
Crystal structure of Trypanosoma brucei AdoMetDC/prozyme heterodimer
Descriptor: 1,4-DIAMINOBUTANE, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, S-adenosylmethionine decarboxylase alpha chain, ...
Authors:Volkov, O.A, Chen, Z, Tomchick, D.R, Phillips, M.A.
Deposit date:2016-11-09
Release date:2017-01-11
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.408 Å)
Cite:Relief of autoinhibition by conformational switch explains enzyme activation by a catalytically dead paralog.
Elife, 5, 2016
6QC5
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BU of 6qc5 by Molmil
Ovine respiratory complex I FRC closed class 1
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Acyl carrier protein, ...
Authors:Letts, J.A, Sazanov, L.A.
Deposit date:2018-12-26
Release date:2019-08-21
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Structures of Respiratory Supercomplex I+III2Reveal Functional and Conformational Crosstalk.
Mol.Cell, 75, 2019
3LDV
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BU of 3ldv by Molmil
1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961
Descriptor: CHLORIDE ION, MAGNESIUM ION, Orotidine 5'-phosphate decarboxylase
Authors:Halavaty, A.S, Shuvalova, L, Minasov, G, Dubrovska, I, Winsor, J, Glass, E.M, Peterson, S.N, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2010-01-13
Release date:2010-01-26
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:1.77 Angstrom resolution crystal structure of orotidine 5'-phosphate decarboxylase from Vibrio cholerae O1 biovar eltor str. N16961
To be Published
5TZH
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BU of 5tzh by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 3,3-difluoro-1-[(4-fluorophenyl)carbonyl]-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
Descriptor: MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](4-fluorophenyl)methanone, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2016-11-21
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017
5TZW
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BU of 5tzw by Molmil
CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 2A IN COMPLEX WITH 1-[(3,4-difluorophenyl)carbonyl]-3,3-difluoro-5-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}piperidine
Descriptor: MAGNESIUM ION, ZINC ION, [(5S)-3,3-difluoro-5-(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl](3,4-difluorophenyl)methanone, ...
Authors:Xu, R, Aertgeerts, K.
Deposit date:2016-11-22
Release date:2017-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Design and Synthesis of Novel and Selective Phosphodiesterase 2 (PDE2a) Inhibitors for the Treatment of Memory Disorders.
J. Med. Chem., 60, 2017

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