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6R56
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BU of 6r56 by Molmil
Crystal structure of PPEP-1(K101E/E184K)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R54
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BU of 6r54 by Molmil
Crystal structure of PPEP-1(E184A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, NICKEL (II) ION, Pro-Pro endopeptidase, ...
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.417 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R45
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BU of 6r45 by Molmil
Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, O-GlcNAcase
Authors:Raimi, O.G, Gorelik, A, Hopkins-Navratilova, I, Aristotelous, T, Ferenbach, A, vanAalten, D.
Deposit date:2019-03-21
Release date:2020-04-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.784 Å)
Cite:Crystal structure of eukaryotic O-GlcNAcase HAT-like domain
To Be Published
6R55
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BU of 6r55 by Molmil
Crystal structure of PPEP-1(E184K)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.401 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R53
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BU of 6r53 by Molmil
Crystal structure of PPEP-1(K101R)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
7E0A
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BU of 7e0a by Molmil
X-ray structure of human PPARgamma ligand binding domain-saroglitazar co-crystals obtained by co-crystallization
Descriptor: (2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid, Isoform 2 of Peroxisome proliferator-activated receptor gamma
Authors:Kamata, S, Honda, A, Uchii, K, Machida, Y, Oyama, T, Ishii, I.
Deposit date:2021-01-27
Release date:2021-09-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.771 Å)
Cite:Structural Basis for Anti-non-alcoholic Fatty Liver Disease and Diabetic Dyslipidemia Drug Saroglitazar as a PPAR alpha / gamma Dual Agonist.
Biol.Pharm.Bull., 44, 2021
6R52
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BU of 6r52 by Molmil
Crystal structure of PPEP-1(K101A)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.022 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
6R5A
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BU of 6r5a by Molmil
Crystal structure of PPEP-1(W103F)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Pro-Pro endopeptidase, ZINC ION
Authors:Pichlo, C, Baumann, U.
Deposit date:2019-03-24
Release date:2019-06-12
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Molecular determinants of the mechanism and substrate specificity ofClostridium difficileproline-proline endopeptidase-1.
J.Biol.Chem., 294, 2019
3D8L
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BU of 3d8l by Molmil
Crystal structure of ORF12 from the lactococcus lactis bacteriophage p2
Descriptor: ORF12
Authors:Siponen, M.I, Spinelli, S, Lichiere, J, Moineau, S, Cambillau, C, Campanacci, V.
Deposit date:2008-05-23
Release date:2009-04-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Crystal structure of ORF12 from Lactococcus lactis phage p2 identifies a tape measure protein chaperone
J.Bacteriol., 191, 2009
3DA0
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BU of 3da0 by Molmil
Crystal structure of a cleaved form of a chimeric receptor binding protein from Lactococcal phages subspecies TP901-1 and p2
Descriptor: Cleaved chimeric receptor binding protein from bacteriophages TP901-1 and p2
Authors:Siponen, M.I, Blangy, S, Spinelli, S, Vera, L, Cambillau, C, Campanacci, V.
Deposit date:2008-05-28
Release date:2009-06-09
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of a chimeric receptor binding protein constructed from two lactococcal phages.
J.Bacteriol., 191, 2009
4E47
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BU of 4e47 by Molmil
SET7/9 in complex with inhibitor (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6- sulfonamide and S-adenosylmethionine
Descriptor: (R)-(3-(3-cyanophenyl)-1-oxo-1-(pyrrolidin-1-yl)propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-6-sulfonamide, BETA-MERCAPTOETHANOL, Histone-lysine N-methyltransferase SETD7, ...
Authors:Walker, J.R, Ouyang, H, Dong, A, Fish, P, Cook, A, Barsyte, D, Vedadi, M, Tatlock, J, Owen, D, Bunnage, M, Bountra, C, Weigelt, J, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC)
Deposit date:2012-03-12
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Setd7 in Complex with Inhibitor and SAM
To be Published
3D8M
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BU of 3d8m by Molmil
Crystal structure of a chimeric receptor binding protein from lactococcal phages subspecies TP901-1 and p2
Descriptor: Baseplate protein, Receptor binding protein
Authors:Siponen, M.I, Blangy, S, Spinelli, S, Cambillau, C, Campanacci, V.
Deposit date:2008-05-23
Release date:2009-04-14
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (3.35 Å)
Cite:Crystal structure of a chimeric receptor binding protein constructed from two lactococcal phages
J.Bacteriol., 191, 2009
5YMU
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BU of 5ymu by Molmil
Functional and structural characterization of P[19] rotavirus VP8* interaction with histo-blood group antigens
Descriptor: GLYCEROL, Outer capsid protein VP4
Authors:Sun, X, Duan, Z.
Deposit date:2017-10-22
Release date:2018-05-23
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Glycan Binding Specificity and Mechanism of Human and Porcine P[6]/P[19] Rotavirus VP8*s.
J. Virol., 92, 2018
5ZGU
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BU of 5zgu by Molmil
Crystal structure of NDM-1 at pH7.0 (HEPES) with 2 molecules per asymmetric unit
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, HYDROXIDE ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGT
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BU of 5zgt by Molmil
Crystal structure of NDM-1 at pH7.5 (HEPES) with 2 molecules per asymmetric unit
Descriptor: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGW
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BU of 5zgw by Molmil
Crystal structure of NDM-1 at pH7.5 with 1 molecule per asymmetric unit (crystallized at succinate pH5.5 and soaked at succinate pH7.5)
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HYDROXIDE ION, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGR
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BU of 5zgr by Molmil
Crystal structure of NDM-1 at pH7.3 (HEPES) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, GLYCEROL, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5ZGV
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BU of 5zgv by Molmil
Crystal structure of NDM-1 at pH8.0 (Tris) with 2 molecules per asymmetric unit
Descriptor: GLYCEROL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
5YX6
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BU of 5yx6 by Molmil
Crystal structure of Rv3272 from M. tuberculosis orthorhombic form
Descriptor: BENZAMIDINE, GLYCEROL, Uncharacterized protein Rv3272
Authors:Ansari, A, Shrimant, K.S, Venkatesh Pratap, J.
Deposit date:2017-12-01
Release date:2018-11-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Rv3272 encodes a novel Family III CoA transferase that alters the cell wall lipid profile and protects mycobacteria from acidic and oxidative stress.
Biochim Biophys Acta Proteins Proteom, 1867, 2019
5USJ
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BU of 5usj by Molmil
Crystal Structure of human KRAS G12D mutant in complex with GDPNP
Descriptor: GTPase KRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
Deposit date:2017-02-13
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017
6O6E
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BU of 6o6e by Molmil
Crystal structure of PltF trapped with PltL using a proline adenosine vinylsulfonamide inhibitor
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 5'-deoxy-5'-({(2S)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2S)-pyrrolidin-2-yl]ethanesulfonyl}amino)adenosine, FORMIC ACID, ...
Authors:Corpuz, J.C, Podust, L.M.
Deposit date:2019-03-06
Release date:2020-04-08
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis.
Rsc Chem Biol, 1, 2020
5LX7
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BU of 5lx7 by Molmil
Cys-Gly dipeptidase GliJ mutant D38N
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Dipeptidase, FE (III) ION, ...
Authors:Huber, E.M, Groll, M.
Deposit date:2016-09-20
Release date:2017-05-31
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Gliotoxin Biosynthesis: Structure, Mechanism, and Metal Promiscuity of Carboxypeptidase GliJ.
ACS Chem. Biol., 12, 2017
5ZGP
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BU of 5zgp by Molmil
Crystal structure of NDM-1 at pH6.2 (Bis-Tris) in complex with hydrolyzed ampicillin
Descriptor: (2R,4S)-2-[(R)-{[(2R)-2-amino-2-phenylacetyl]amino}(carboxy)methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Zhang, H, Hao, Q.
Deposit date:2018-03-10
Release date:2018-08-22
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Active-Site Conformational Fluctuations Promote the Enzymatic Activity of NDM-1.
Antimicrob. Agents Chemother., 62, 2018
4UPM
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BU of 4upm by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N',N'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediylbenzene-3,1-diyl)}dithiophene-2-carboximidamide, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-06-17
Release date:2014-08-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Combination of Chiral Linkers with Thiophenecarboximidamide Heads to Improve the Selectivity of Inhibitors of Neuronal Nitric Oxide Synthase.
Bioorg.Med.Chem.Lett., 24, 2014
5UQW
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BU of 5uqw by Molmil
Crystal structure of human KRAS G12V mutant in complex with GDP
Descriptor: GTPase KRas, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Huang, C.S, Kaplan, A, Stockwell, B.R, Tong, L.
Deposit date:2017-02-08
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Multivalent Small-Molecule Pan-RAS Inhibitors.
Cell, 168, 2017

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數據於2024-07-17公開中

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