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5CFK
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Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution
分子名称: Proliferating cell nuclear antigen,Proliferating cell nuclear antigen
著者Shukla, P.K, Yadav, S.P, Sharma, P, Kaur, P, Sharma, S, Singh, T.P.
登録日2015-07-08
公開日2015-10-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Crystal structure of Proliferating Cell Nuclear Antigen from Leishmania donovani at 3.2 A resolution
To Be Published
5CJ1
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BU of 5cj1 by Molmil
Crystal structure of the coiled coil of MYH7 residues 1526 to 1571 fused to Gp7
分子名称: Gp7-MYH7-(1526-1571) chimera protein
著者Taylor, K.C, Korkmaz, E.N, Andreas, M.P, Ajay, G, Heinz, N.T, Cui, Q, Rayment, I.
登録日2015-07-13
公開日2015-12-02
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A composite approach towards a complete model of the myosin rod.
Proteins, 84, 2016
5U61
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BU of 5u61 by Molmil
CcP gateless cavity
分子名称: 5-cyclopropyl-1H-imidazol-2-amine, PROTOPORPHYRIN IX CONTAINING FE, Peroxidase
著者Fischer, M, Shoichet, B.K.
登録日2016-12-07
公開日2017-02-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.222 Å)
主引用文献Testing inhomogeneous solvation theory in structure-based ligand discovery.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
5FQL
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BU of 5fql by Molmil
Insights into Hunter syndrome from the structure of iduronate-2- sulfatase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J.
登録日2015-12-11
公開日2017-01-18
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
5CGC
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BU of 5cgc by Molmil
Structure of the human class C GPCR metabotropic glutamate receptor 5 transmembrane domain in complex with the negative allosteric modulator 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 3-chloro-4-fluoro-5-[6-(1H-pyrazol-1-yl)pyrimidin-4-yl]benzonitrile, Metabotropic glutamate receptor 5,Endolysin,Metabotropic glutamate receptor 5, ...
著者Christopher, J.A, Aves, S.J, Bennett, K.A, Dore, A.S, Errey, J.C, Jazayeri, A, Marshall, F.H, Okrasa, K, Serrano-Vega, M.J, Tehan, B.G, Wiggin, G.R, Congreve, M.
登録日2015-07-09
公開日2015-08-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.101 Å)
主引用文献Fragment and Structure-Based Drug Discovery for a Class C GPCR: Discovery of the mGlu5 Negative Allosteric Modulator HTL14242 (3-Chloro-5-[6-(5-fluoropyridin-2-yl)pyrimidin-4-yl]benzonitrile).
J.Med.Chem., 58, 2015
4ABB
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BU of 4abb by Molmil
Fragments bound to bovine trypsin for the SAMPL challenge
分子名称: 1,2-ETHANEDIOL, 1-(1-BENZOTHIOPHEN-3-YL)METHANAMINE, CALCIUM ION, ...
著者Newman, J, Peat, T.S.
登録日2011-12-08
公開日2012-02-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献The Dingo Dataset: A Comprehensive Set of Data for the Sampl Challenge.
J.Comput.Aided Mol.Des., 26, 2012
4ABZ
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BU of 4abz by Molmil
TetR(D) in Complex with Tigecycline and Magnesium, co-crystallized
分子名称: CHLORIDE ION, MAGNESIUM ION, TIGECYCLINE, ...
著者Volkers, G, Hinrichs, W.
登録日2011-12-12
公開日2012-12-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.886 Å)
主引用文献TetR(D) in Complex with Tigecycline and Magnesium
To be Published
5FII
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BU of 5fii by Molmil
Structure of a human aspartate kinase, chorismate mutase and TyrA domain.
分子名称: PHENYLALANINE, PHENYLALANINE-4-HYDROXYLASE
著者Patel, D, Kopec, J, Shrestha, L, Fitzpatrick, F, Pinkas, D, Chaikuad, A, Dixon-Clarke, S, McCorvie, T.J, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2015-09-25
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Basis for Ligand-Dependent Dimerization of Phenylalanine Hydroxylase Regulatory Domain.
Sci.Rep., 6, 2016
4AOU
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BU of 4aou by Molmil
CtIDH bound to NADP. The complex structures of Isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila, support a new active site locking mechanism
分子名称: ISOCITRATE DEHYDROGENASE [NADP], ISOCITRIC ACID, MAGNESIUM ION, ...
著者Leiros, H.-K.S, Fedoy, A.-E, Leiros, I, Steen, I.H.
登録日2012-03-30
公開日2012-07-11
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The complex structures of isocitrate dehydrogenase from Clostridium thermocellum and Desulfotalea psychrophila suggest a new active site locking mechanism.
Febs Open Bio, 2, 2012
5TRE
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BU of 5tre by Molmil
Zinc and the Iron Donor Frataxin Regulate Oligomerization of the Scaffold Protein to Form New Fe-S Cluster Assembly Centers
分子名称: Frataxin homolog, mitochondrial, Iron sulfur cluster assembly protein 1
著者Ranatunga, W, Gakh, O, Galeano, B.K, Smith IV, D.Y, Thompson, J.R, Isaya, G.
登録日2016-10-26
公開日2017-06-07
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (15.6 Å)
主引用文献Zinc and the iron donor frataxin regulate oligomerization of the scaffold protein to form new Fe-S cluster assembly centers.
Metallomics, 9, 2017
4ADG
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BU of 4adg by Molmil
Crystal structure of the Rubella virus envelope Glycoprotein E1 in post-fusion form (crystal form II)
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者DuBois, R.M, Vaney, M.C, Tortorici, M.A, Al Kurdi, R, Barba-Spaeth, G, Rey, F.A.
登録日2011-12-26
公開日2013-01-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.18 Å)
主引用文献Functional and Evolutionary Insight from the Crystal Structure of Rubella Virus Protein E1.
Nature, 493, 2013
4AML
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BU of 4aml by Molmil
CRYSTAL STRUCTURE OF WHEAT GERM AGGLUTININ ISOLECTIN 1 IN COMPLEX WITH GLYCOSYLURETHAN
分子名称: 2-acetamido-2-deoxy-1-O-(propylcarbamoyl)-alpha-D-glucopyranose, AGGLUTININ ISOLECTIN 1, GLYCEROL
著者Schwefel, D, Maierhofer, C, Beck, J.G, Seeberger, S, Diederichs, K, Moeller, H.M, Welte, W, Wittmann, V.
登録日2012-03-12
公開日2012-04-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Basis of Multivalent Binding to Wheat Germ Agglutinin.
J.Am.Chem.Soc., 132, 2010
5FSH
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BU of 5fsh by Molmil
Crystal structure of Thermus thermophilus Csm6
分子名称: CSM6, NICKEL (II) ION
著者Niewoehner, O, Jinek, M.
登録日2016-01-06
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.301 Å)
主引用文献Structural Basis for the Endoribonuclease Activity of the Type III-A Crispr-Associated Protein Csm6.
RNA, 22, 2016
5U7N
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BU of 5u7n by Molmil
CRYSTAL STRUCTURE OF A CHIMERIC CUA DOMAIN (SUBUNIT II) OF CYTOCHROME BA3 FROM THERMUS THERMOPHILUS WITH THE AMICYANIN LOOP
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, COPPER (II) ION, Cytochrome c oxidase subunit 2
著者Otero, L.H, Klinke, S, Espinoza-Cara, A, Vila, A.J.
登録日2016-12-12
公開日2017-11-22
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis.
Chem Sci, 9, 2018
5FLG
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BU of 5flg by Molmil
Crystal structure of the 6-carboxyhexanoate-CoA ligase (BioW)from Bacillus subtilis in complex with AMPPNP
分子名称: 6-CARBOXYHEXANOATE--COA LIGASE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
著者Moynie, L, Wang, M, Campopiano, D.J, Naismith, J.H.
登録日2015-10-26
公開日2016-11-16
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Using the pimeloyl-CoA synthetase adenylation fold to synthesize fatty acid thioesters.
Nat. Chem. Biol., 13, 2017
5TRW
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BU of 5trw by Molmil
Crystal structure of Pyridoxamine kinase PDXY from Burkholderia xenovorans
分子名称: 1,2-ETHANEDIOL, 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2016-10-27
公開日2016-11-09
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of Pyridoxamine kinase PDXY from Burkholderia xenovorans
to be published
1XZ3
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BU of 1xz3 by Molmil
Complex of apoferritin with isoflurane
分子名称: 1-CHLORO-2,2,2-TRIFLUOROETHYL DIFLUOROMETHYL ETHER, CADMIUM ION, Ferritin light chain
著者Liu, R, Loll, P.J, Eckenhoff, R.G.
登録日2004-11-11
公開日2005-05-10
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis for high-affinity volatile anesthetic binding in a natural 4-helix bundle protein.
Faseb J., 19, 2005
5FZP
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BU of 5fzp by Molmil
Structure of the dispase autolysis inducing protein from Streptomyces mobaraensis
分子名称: CALCIUM ION, DISPASE AUTOLYSIS-INDUCING PROTEIN, GLYCEROL
著者Schmelz, S, Fiebig, D, Beck, J, Fuchsbauer, H.L, Scrima, A.
登録日2016-03-15
公開日2016-08-10
最終更新日2016-10-05
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure of the Dispase Autolysis Inducing Protein from Streptomyces Mobaraensis and Glutamine Cross-Linking Sites for Transglutaminase
J.Biol.Chem., 291, 2016
5CMQ
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BU of 5cmq by Molmil
Crystal Structure of Zn-bound Human H-Ferritin variant 122H-delta C-star
分子名称: Ferritin heavy chain, ZINC ION
著者Sontz, P.A, Bailey, J.B, Ahn, S, Tezcan, F.A.
登録日2015-07-17
公開日2015-09-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.935 Å)
主引用文献A Metal Organic Framework with Spherical Protein Nodes: Rational Chemical Design of 3D Protein Crystals.
J.Am.Chem.Soc., 137, 2015
1XY3
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Urate oxidase from aspergillus flavus complexed with guanine
分子名称: GUANINE, Uricase
著者Retailleau, P, Colloc'h, N, Vivares, D, Bonnete, F, Castro, B, El Hajji, M, Prange, T.
登録日2004-11-09
公開日2005-03-22
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Urate oxidase from Aspergillus flavus: new crystal-packing contacts in relation to the content of the active site.
Acta Crystallogr.,Sect.D, 61, 2005
5CNS
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BU of 5cns by Molmil
Crystal structure of the dATP inhibited E. coli class Ia ribonucleotide reductase complex bound to CDP and dATP at 2.97 Angstroms resolution
分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYADENOSINE-5'-DIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, ...
著者Chen, P.Y.-T, Zimanyi, C.M, Funk, M.A, Drennan, C.L.
登録日2015-07-18
公開日2016-01-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.975 Å)
主引用文献Molecular basis for allosteric specificity regulation in class Ia ribonucleotide reductase from Escherichia coli.
Elife, 5, 2016
5FZ4
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BU of 5fz4 by Molmil
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment (3R)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol (N10057a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: (3S)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Pearce, N, Talon, R, Collins, P, Johansson, C, Gileadi, C, Kupinska, K, Strain-Damerell, C, Szykowska, A, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with N10057A
To be Published
4A4I
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BU of 4a4i by Molmil
Crystal structure of the human Lin28b cold shock domain
分子名称: GLYCEROL, PROTEIN LIN-28 HOMOLOG B, SULFATE ION
著者Mayr, F, Schuetz, A, Doege, N, Heinemann, U.
登録日2011-10-14
公開日2012-08-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献The Lin28 Cold-Shock Domain Remodels Pre-Let-7 Microrna.
Nucleic Acids Res., 40, 2012
5FZC
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Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with Maybridge Fragment 4,5-Dihydronaphtho(1,2-B)Thiophene-2-Carboxylicacid (N11181A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published
5FZL
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Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment 3-methyl-N-pyridin-4-yl-1,2-oxazole-5-carboxamide (N09954a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide, CHLORIDE ION, ...
著者Nowak, R, Krojer, T, Johansson, C, Kupinska, K, Szykowska, A, Pearce, N, Talon, R, Collins, P, Gileadi, C, Strain-Damerell, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, von Delft, F, Brennan, P.E, Oppermann, U.
登録日2016-03-14
公開日2016-04-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal Structure of the Catalytic Domain of Human Jarid1B in Complex with 3D Fragment 3-Methyl-N-Pyridin-4-Yl-1,2-Oxazole-5-Carboxamide (N09954A) (Ligand Modelled Based on Pandda Event Map, Sgc - Diamond I04-1 Fragment Screening)
To be Published

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