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8OTM
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BU of 8otm by Molmil
structure of InhA from mycobacterium tuberculosis in complex with N-((1-(3-hydroxy-4-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-oxo-2H-chromene-3-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-oxidanylidene-~{N}-[[1-[(3-oxidanyl-4-phenoxy-phenyl)methyl]-1,2,3-triazol-4-yl]methyl]chromene-3-carboxamide, ACETATE ION, ...
著者Chebaiki, M, Maveyraud, L, Tamhaev, R, Lherbet, C, Mourey, L.
登録日2023-04-21
公開日2023-08-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Discovery of new diaryl ether inhibitors against Mycobacterium tuberculosis targeting the minor portal of InhA.
Eur.J.Med.Chem., 259, 2023
8P1T
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BU of 8p1t by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Z237451470
分子名称: 1,2-ETHANEDIOL, 6-cyclopropyl-~{N}-(1~{H}-indazol-5-yl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxamide, CHLORIDE ION, ...
著者Thomsen, M, Thieulin-Pardo, G, Neumann, L.
登録日2023-05-12
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.442 Å)
主引用文献Discovery of novel methionine adenosyltransferase 2A (MAT2A) allosteric inhibitors by structure-based virtual screening.
Bioorg.Med.Chem.Lett., 94, 2023
6IFF
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BU of 6iff by Molmil
Crystal structure of M1 zinc metallopeptidase E323A mutant from Deinococcus radiodurans
分子名称: SODIUM ION, TYROSINE, ZINC ION, ...
著者Agrawal, R, Kumar, A, Kumar, A, Gaur, N.K, Makde, R.D.
登録日2018-09-20
公開日2019-09-25
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Structural basis for the unusual substrate specificity of unique two-domain M1 metallopeptidase.
Int.J.Biol.Macromol., 147, 2020
4QVU
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BU of 4qvu by Molmil
Crystal structure of a DUF4931 family protein (BCE0241) from Bacillus cereus ATCC 10987 at 2.65 A resolution
分子名称: SODIUM ION, TETRAETHYLENE GLYCOL, Uncharacterized protein, ...
著者Joint Center for Structural Genomics (JCSG)
登録日2014-07-15
公開日2014-08-06
最終更新日2023-02-01
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of a hypothetical protein (BCE0241) from Bacillus cereus ATCC 10987 at 2.65 A resolution
To be published
6ILR
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BU of 6ilr by Molmil
Structure of Arabidopsis thaliana Ribokinase in unligand form
分子名称: Ribokinase, SODIUM ION, TETRAETHYLENE GLYCOL
著者Kang, P, Oh, J, Rhee, S.
登録日2018-10-19
公開日2019-03-13
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.972 Å)
主引用文献Crystal structure and mutational analyses of ribokinase from Arabidopsis thaliana.
J. Struct. Biol., 206, 2019
4EHU
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BU of 4ehu by Molmil
Activator of the 2-Hydroxyisocaproyl-CoA Dehydratase from Clostridium difficile with bound ADPNP
分子名称: ACETATE ION, Activator of 2-hydroxyisocaproyl-CoA dehydratase, IRON/SULFUR CLUSTER, ...
著者Knauer, S.H, Dobbek, H.
登録日2012-04-04
公開日2012-08-08
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献On the ATP-Dependent Activation of the Radical Enzyme (R)-2-Hydroxyisocaproyl-CoA Dehydratase.
Biochemistry, 51, 2012
4ESK
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BU of 4esk by Molmil
Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 (NYSGRC-006047)IG-like domain
分子名称: GLYCEROL, Leukocyte-associated immunoglobulin-like receptor 1, POTASSIUM ION, ...
著者Sampathkumar, P, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC), Atoms-to-Animals: The Immune Function Network (IFN)
登録日2012-04-23
公開日2012-05-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.762 Å)
主引用文献Crystal structure of a strand-swapped dimer of Mouse Leukocyte-associated immunoglobulin-like receptor 1 IG-like domain
to be published
8PH7
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BU of 8ph7 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)(O2CCH3)3] in condition A
分子名称: Lysozyme C, SODIUM ION, SUCCINIC ACID, ...
著者Teran, A, Ferraro, G, Merlino, A.
登録日2023-06-19
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.406 Å)
主引用文献Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
8P0Z
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BU of 8p0z by Molmil
AP01-S2.3 - a variant of a redesigned transferrin receptor apical domain
分子名称: BORIC ACID, SODIUM ION, Transferrin receptor protein 1, ...
著者Oberdorfer, G, Grill, B, Bjelic, S, Stoll, D.
登録日2023-05-11
公開日2023-09-27
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Affinity Maturated Transferrin Receptor Apical Domain Blocks Machupo Virus Glycoprotein Binding.
J.Mol.Biol., 435, 2023
6IPF
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BU of 6ipf by Molmil
Post-catalytic Complex of Human DNA Polymerase Mu with Templating Cytosine and Mn-8oxodGMP
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Chang, Y.K, Wu, W.J, Tsai, M.D.
登録日2018-11-03
公開日2019-05-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
8PH8
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BU of 8ph8 by Molmil
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(DPhF)2(O2CCH3)2] in condition A
分子名称: 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane, Lysozyme C, SODIUM ION, ...
著者Teran, A, Ferraro, G, Merlino, A.
登録日2023-06-19
公開日2023-09-13
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Steric hindrance and charge influence on the cytotoxic activity and protein binding properties of diruthenium complexes.
Int.J.Biol.Macromol., 253, 2023
3X2Q
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BU of 3x2q by Molmil
X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 angstrom resolution
分子名称: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE, (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE, ...
著者Yano, N, Muramoto, K, Mochizuki, M, Shinzawa-Itoh, K, Yamashita, E, Yoshikawa, S, Tsukihara, T.
登録日2014-12-26
公開日2015-06-10
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献X-ray structure of cyanide-bound bovine heart cytochrome c oxidase in the fully oxidized state at 2.0 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 71, 2015
4R8I
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BU of 4r8i by Molmil
High Resolution Structure of a Mirror-Image RNA Oligonucleotide Aptamer in Complex with the Chemokine CCL2
分子名称: C-C motif chemokine 2, Mirror-Image RNA Oligonucleotide Aptamer NOXE36, POTASSIUM ION, ...
著者Oberthuer, D, Achenbach, J, Gabdulkhakov, A, Falke, S, Buchner, K, Maasch, C, Rehders, D, Klussmann, S, Betzel, C.
登録日2014-09-02
公開日2015-04-29
最終更新日2015-05-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of a mirror-image L-RNA aptamer (Spiegelmer) in complex with the natural L-protein target CCL2.
Nat Commun, 6, 2015
8OYL
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BU of 8oyl by Molmil
Coiled-Coil Domain of Human STIL, Q729L Mutant
分子名称: CADMIUM ION, CHLORIDE ION, SCL-interrupting locus protein, ...
著者Martin, F.J.O, Shamir, M, Woolfson, D.N, Friedler, A.
登録日2023-05-05
公開日2023-10-18
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Molecular Mechanism of STIL Coiled-Coil Domain Oligomerization.
Int J Mol Sci, 24, 2023
8OYW
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BU of 8oyw by Molmil
De novo designed rhomboid protease-like fold RPF_9
分子名称: De novo designed soluble Rhomboid protease-like protein, SODIUM ION
著者Pacesa, M, Correia, B.E.
登録日2023-05-05
公開日2023-10-18
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Computational design of soluble functional analogues of integral membrane proteins.
Biorxiv, 2024
8P1C
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BU of 8p1c by Molmil
Lysozyme structure solved from serial crystallography data collected at 1 kHz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
8P1D
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BU of 8p1d by Molmil
Lysozyme structure solved from serial crystallography data collected at 100 Hz with JUNGFRAU detector at MAXIV
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ...
著者Nan, J, Leonarski, F, Furrer, A, Dworkowski, F.
登録日2023-05-11
公開日2023-10-18
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kilohertz serial crystallography with the JUNGFRAU detector at a fourth-generation synchrotron source.
Iucrj, 10, 2023
1GNY
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BU of 1gny by Molmil
xylan-binding module CBM15
分子名称: SODIUM ION, XYLANASE 10C, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
著者Szabo, S, Jamal, S, Xie, H, Charnock, S.J, Bolam, D.N, Gilbert, H.J, Davies, G.J.
登録日2001-10-10
公開日2001-11-29
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献Structure of a Family 15 Carbohydrate-Binding Module in Complex with Xylopentaose: Evidence that Xylan Binds in an Approximate Three-Fold Helical Conformation
J.Biol.Chem., 276, 2001
3F72
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BU of 3f72 by Molmil
Crystal Structure of the Staphylococcus aureus pI258 CadC Metal Binding Site 2 Mutant
分子名称: Cadmium efflux system accessory protein, SODIUM ION
著者Kandegedara, A, Thiyagarajan, S, Kondapalli, K.C, Stemmler, T.L, Rosen, B.P.
登録日2008-11-07
公開日2009-04-07
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Role of bound Zn(II) in the CadC Cd(II)/Pb(II)/Zn(II)-responsive repressor.
J.Biol.Chem., 284, 2009
8OND
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BU of 8ond by Molmil
Structure of the C-terminal domains of the Bdellovibrio bacteriovorus Bd2133 fibre
分子名称: CHLORIDE ION, SODIUM ION, bd2133
著者Caulton, S.G, Lovering, A.L.
登録日2023-04-02
公開日2023-10-25
最終更新日2024-06-26
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Bdellovibrio bacteriovorus uses chimeric fibre proteins to recognize and invade a broad range of bacterial hosts.
Nat Microbiol, 9, 2024
8PBG
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BU of 8pbg by Molmil
Mutant K1556T of the dihydroorotase domain of human CAD protein bound to the inhibitor fluoroorotate
分子名称: 5-FLUORO-2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4-CARBOXYLIC ACID, CAD protein, FORMIC ACID, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
6IPD
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BU of 6ipd by Molmil
Post-catalytic Complex of Human DNA Polymerase Mu with Templating Adenine and Mn-8oxodGMP
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DNA (5'-D(*CP*GP*GP*CP*AP*TP*AP*CP*G)-3'), ...
著者Chang, Y.K, Wu, W.J, Tsai, M.D.
登録日2018-11-03
公開日2019-05-29
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Human DNA Polymerase mu Can Use a Noncanonical Mechanism for Multiple Mn2+-Mediated Functions.
J.Am.Chem.Soc., 141, 2019
4R49
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BU of 4r49 by Molmil
Racemic crystal structure of a calcium-bound B-DNA duplex
分子名称: 5'-D(*CP*CP*GP*GP*TP*AP*CP*CP*GP*G)-3', CALCIUM ION, SODIUM ION
著者Mandal, P.K, Collie, G.W, Kauffmann, B, Huc, I.
登録日2014-08-19
公開日2014-11-12
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Racemic DNA crystallography.
Angew.Chem.Int.Ed.Engl., 53, 2014
8PBH
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BU of 8pbh by Molmil
Mutant R1617Q of the dihydroorotase domain of human CAD protein bound to the substrate carbamoyl aspartate
分子名称: CAD protein, FORMIC ACID, N-CARBAMOYL-L-ASPARTATE, ...
著者del Cano-Ochoa, F, Ramon-Maiques, S.
登録日2023-06-09
公開日2023-11-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Beyond genetics: Deciphering the impact of missense variants in CAD deficiency.
J Inherit Metab Dis, 46, 2023
4QRV
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BU of 4qrv by Molmil
Crystal structure of I86F mutant of papain
分子名称: CHLORIDE ION, Papain, SODIUM ION
著者Dutta, S, Choudhury, D, Roy, S.
登録日2014-07-02
公開日2015-08-12
最終更新日2017-11-22
実験手法X-RAY DIFFRACTION (1.978 Å)
主引用文献Pro-peptide regulates the substrate specificity and zymogen activation process of papain: A structural and mechanistic insight
to be published

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件を2024-08-07に公開中

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