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4MYQ
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BU of 4myq by Molmil
Selective Inhibition of the Catalytic Domain Of Human Phosphodiesterase 4B With A-33
Descriptor: (4-{[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)acetic acid, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
Authors:Fox III, D, Edwards, T.E.
Deposit date:2013-09-27
Release date:2014-01-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural basis for the design of selective phosphodiesterase 4B inhibitors.
Cell Signal, 26, 2014
5MT2
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BU of 5mt2 by Molmil
Glycoside hydrolase BT_0996
Descriptor: Beta-galactosidase, GLYCEROL
Authors:Basle, A, Ndeh, D, Rogowski, A, Cartmell, A, Luis, A.S, Venditto, I, Labourel, A, Gilbert, H.J.
Deposit date:2017-01-06
Release date:2017-03-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
4MXF
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BU of 4mxf by Molmil
X-ray structure of the adduct between bovine pancreatic ribonuclease and Auoxo6, a dinuclear gold(III) complex with -dioxo bridges linking the two metal centers
Descriptor: GOLD ION, Ribonuclease pancreatic
Authors:Russo Krauss, I, Vergara, A, Merlino, A.
Deposit date:2013-09-26
Release date:2013-12-25
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Interactions of gold-based drugs with proteins: crystal structure of the adduct formed between ribonuclease A and a cytotoxic gold(iii) compound.
Metallomics, 6, 2014
4MY2
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BU of 4my2 by Molmil
Crystal Structure of Norrin in fusion with Maltose Binding Protein
Descriptor: Maltose-binding periplasmic protein, Norrin fusion protein, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose
Authors:Ke, J, Jurecky, C, Chen, C, Gu, X, Parker, N, Williams, B.O, Melcher, K, Xu, H.E.
Deposit date:2013-09-27
Release date:2013-11-13
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure and function of Norrin in assembly and activation of a Frizzled 4-Lrp5/6 complex.
Genes Dev., 27, 2013
4N0J
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BU of 4n0j by Molmil
Crystal structure of dimethyllysine hen egg-white lysozyme in complex with sclx4 at 1.9 A resolution
Descriptor: 25,26,27,28-tetrahydroxypentacyclo[19.3.1.1~3,7~.1~9,13~.1~15,19~]octacosa-1(25),3(28),4,6,9(27),10,12,15(26),16,18,21,23-dodecaene-5,11,17,23-tetrasulfonic acid, CHLORIDE ION, GLYCEROL, ...
Authors:McGovern, R.E, Crowley, P.B.
Deposit date:2013-10-02
Release date:2014-11-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural study of a small molecule receptor bound to dimethyllysine in lysozyme.
Chem Sci, 6, 2015
6JG6
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BU of 6jg6 by Molmil
Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-13
Release date:2020-08-19
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
4MYZ
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BU of 4myz by Molmil
Structure of a class 2 docking domain complex from modules CurK and CurL of the curacin A polyketide synthase
Descriptor: CurK, CurL fusion protein
Authors:Whicher, J.R, Smaga, S.S, Smith, J.L.
Deposit date:2013-09-28
Release date:2014-01-29
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Cyanobacterial polyketide synthase docking domains: a tool for engineering natural product biosynthesis.
Chem.Biol., 20, 2013
5MUJ
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BU of 5muj by Molmil
BT0996 RGII Chain B Complex
Descriptor: ACETATE ION, Beta-galactosidase, alpha-L-rhamnopyranose-(1-2)-[alpha-L-rhamnopyranose-(1-3)]alpha-L-arabinopyranose-(1-4)-[4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose-(1-2)]beta-D-galactopyranose-(1-2)-alpha-D-aceric acid-(1-4)-alpha-L-rhamnopyranose-(1-3)-3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
Authors:Cartmell, A, Basle, A, Ndeh, D, Luis, A.S, Venditto, I, Labourel, A, Rogowski, A, Gilbert, H.J.
Deposit date:2017-01-13
Release date:2017-04-05
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.37 Å)
Cite:Complex pectin metabolism by gut bacteria reveals novel catalytic functions.
Nature, 544, 2017
6JGT
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BU of 6jgt by Molmil
Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ...
Authors:Luang, S, Streltsov, V.A, Hrmova, M.
Deposit date:2019-02-14
Release date:2020-08-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
4N1U
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BU of 4n1u by Molmil
Structure of human MTH1 in complex with TH588
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N~4~-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine, SULFATE ION
Authors:Berntsson, R.P.-A, Jemth, A, Gustafsson, R, Svensson, L.M, Helleday, T, Stenmark, P.
Deposit date:2013-10-04
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:MTH1 inhibition eradicates cancer by preventing sanitation of the dNTP pool.
Nature, 508, 2014
6JHW
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BU of 6jhw by Molmil
Structure of anti-CRISPR AcrIIC3 and NmeCas9 HNH
Descriptor: AcrIIC3, CRISPR-associated endonuclease Cas9
Authors:Suh, J.Y, Lee, B.J, Lee, S.J, Kim, Y.
Deposit date:2019-02-19
Release date:2019-08-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Anti-CRISPR AcrIIC3 discriminates between Cas9 orthologs via targeting the variable surface of the HNH nuclease domain.
Febs J., 286, 2019
4N2Z
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BU of 4n2z by Molmil
Crystal Structure of the alpha-L-arabinofuranosidase PaAbf62A from Podospora anserina in complex with cellotriose
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Siguier, B, Dumon, C, Mourey, L, Tranier, S.
Deposit date:2013-10-06
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:First Structural Insights into alpha-L-Arabinofuranosidases from the Two GH62 Glycoside Hydrolase Subfamilies.
J.Biol.Chem., 289, 2014
4N2X
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BU of 4n2x by Molmil
Crystal Structure of DL-2-haloacid dehalogenase
Descriptor: DL-2-haloacid dehalogenase, GLYCEROL
Authors:Siwek, A, Omi, R, Hirotsu, K, Jitsumori, K, Esaki, N, Kurihara, T, Paneth, P.
Deposit date:2013-10-06
Release date:2013-11-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Binding modes of DL-2-haloacid dehalogenase revealed by crystallography, modeling and isotope effects studies.
Arch.Biochem.Biophys., 540, 2013
4N4J
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BU of 4n4j by Molmil
Kuenenia stuttgartiensis hydroxylamine oxidoreductase
Descriptor: 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol, HEME C, PHOSPHATE ION, ...
Authors:Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B.
Deposit date:2013-10-08
Release date:2013-12-11
Last modified:2020-03-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Biological NO Generation by Octaheme Oxidoreductases.
J.Biol.Chem., 289, 2014
4N4S
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BU of 4n4s by Molmil
A Double Mutant Rat Erk2 in Complex With a Pyrazolo[3,4-d]pyrimidine Inhibitor
Descriptor: 3-[2-(benzyloxy)-8-methylquinolin-6-yl]-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Mitogen-activated protein kinase 1
Authors:Hari, S.B, Maly, D.J, Merritt, E.A.
Deposit date:2013-10-08
Release date:2014-04-16
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformation-Selective ATP-Competitive Inhibitors Control Regulatory Interactions and Noncatalytic Functions of Mitogen-Activated Protein Kinases.
Chem.Biol., 21, 2014
5TPC
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BU of 5tpc by Molmil
Binding domain of BoNT/A complexed with ganglioside
Descriptor: Botulinum neurotoxin type A, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose
Authors:Berntsson, R.P.-A, Svensson, L.M, Stenmark, P.
Deposit date:2016-10-20
Release date:2017-01-18
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Glycans Confer Specificity to the Recognition of Ganglioside Receptors by Botulinum Neurotoxin A.
J. Am. Chem. Soc., 139, 2017
4N7G
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BU of 4n7g by Molmil
Crystal structure of 14-3-3zeta in complex with a peptide derived from ExoS
Descriptor: 14-3-3 protein zeta/delta, Exoenzyme S, HEXAETHYLENE GLYCOL
Authors:Bier, D, Glas, A, Hahne, G, Grossmann, T, Ottmann, C.
Deposit date:2013-10-15
Release date:2014-02-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Constrained peptides with target-adapted cross-links as inhibitors of a pathogenic protein-protein interaction.
Angew.Chem.Int.Ed.Engl., 53, 2014
4N8S
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BU of 4n8s by Molmil
Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-nitrobenzaldehyde, GLYCEROL, ...
Authors:Kumar, M, Mukherjee, J, Gupta, M.N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
Deposit date:2013-10-18
Release date:2013-11-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of the ternary complex of lipase from Thermomyces lanuginosa with Ethylacetoacetate and P-nitrobenzaldehyde at 2.3 A resolution
To be Published
6JOM
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BU of 6jom by Molmil
Crystal structure of lipoate protein ligase from Mycoplasma hyopneumoniae
Descriptor: 5'-O-[(R)-({5-[(3R)-1,2-DITHIOLAN-3-YL]PENTANOYL}OXY)(HYDROXY)PHOSPHORYL]ADENOSINE, Lipoate--protein ligase
Authors:Zhang, H, Chen, H, Ma, G.
Deposit date:2019-03-22
Release date:2020-03-25
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Functional Identification and Structural Analysis of a New Lipoate Protein Ligase inMycoplasma hyopneumoniae.
Front Cell Infect Microbiol, 10, 2020
4NA4
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BU of 4na4 by Molmil
Crystal structure of mouse poly(ADP-ribose) glycohydrolase (PARG) catalytic domain with ADP-HPD
Descriptor: 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE, IODIDE ION, Poly(ADP-ribose) glycohydrolase
Authors:Wang, Z, Cheng, Z, Xu, W.
Deposit date:2013-10-21
Release date:2014-01-29
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystallographic and biochemical analysis of the mouse poly(ADP-ribose) glycohydrolase.
Plos One, 9, 2014
4NB1
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BU of 4nb1 by Molmil
Crystal Structure of FosB from Staphylococcus aureus at 1.80 Angstrom Resolution with L-Cysteine-Cys9 Disulfide
Descriptor: CYSTEINE, Metallothiol transferase FosB, SULFATE ION
Authors:Cook, P.D, Thompson, M.K, Goodman, M.C, Jagessar, K, Harp, J, Keithly, M.E, Armstrong, R.N.
Deposit date:2013-10-22
Release date:2014-02-26
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Biochemistry, 53, 2014
6JLH
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BU of 6jlh by Molmil
Structure of SCGN in complex with a Snap25 peptide
Descriptor: CALCIUM ION, CHLORIDE ION, Secretagogin, ...
Authors:Qin, J, Sun, Q, Jia, D.
Deposit date:2019-03-05
Release date:2020-03-11
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and mechanistic insights into secretagogin-mediated exocytosis.
Proc.Natl.Acad.Sci.USA, 117, 2020
4N82
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BU of 4n82 by Molmil
X-ray crystal structure of Streptococcus sanguinis NrdIox
Descriptor: FLAVIN MONONUCLEOTIDE, Ribonucleotide reductase, SULFATE ION
Authors:Boal, A.K, Rosenzweig, A.C.
Deposit date:2013-10-16
Release date:2014-01-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Streptococcus sanguinis Class Ib Ribonucleotide Reductase: HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTORS AND STRUCTURAL INSIGHTS.
J.Biol.Chem., 289, 2014
5MAG
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BU of 5mag by Molmil
Crystal structure of MELK in complex with an inhibitor
Descriptor: DIMETHYL SULFOXIDE, GLYCEROL, Maternal embryonic leucine zipper kinase, ...
Authors:Canevari, G, Re Depaolini, S, Casale, E, Felder, E, Kuster, B, Heinzlmeir, S.
Deposit date:2016-11-03
Release date:2017-12-06
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:The target landscape of clinical kinase drugs.
Science, 358, 2017
5MGD
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BU of 5mgd by Molmil
STRUCTURE OF E298Q-BETA-GALACTOSIDASE FROM ASPERGILLUS NIGER IN COMPLEX WITH 6-Galactosyl-lactose
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Rico-Diaz, A, Ramirez-Escudero, M, Vizoso Vazquez, A, Cerdan, M.E, Becerra, M, Sanz-Aparicio, J.
Deposit date:2016-11-21
Release date:2017-04-19
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structural features of Aspergillus niger beta-galactosidase define its activity against glycoside linkages.
FEBS J., 284, 2017

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數據於2024-10-30公開中

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