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3MM8
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BU of 3mm8 by Molmil
Dissimilatory sulfite reductase nitrate complex
分子名称: IRON/SULFUR CLUSTER, NITRATE ION, SIROHEME, ...
著者Parey, K, Warkentin, E, Kroneck, P.M.H, Ermler, U.
登録日2010-04-19
公開日2010-07-21
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Reaction cycle of the dissimilatory sulfite reductase from Archaeoglobus fulgidus.
Biochemistry, 49, 2010
6H3U
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BU of 6h3u by Molmil
Schmallenberg Virus Glycoprotein Gc Head Domain in Complex with scFv 4B6
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Envelopment polyprotein, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Hellert, J, Aebischer, A, Wernike, K, Haouz, A, Brocchi, E, Reiche, S, Guardado-Calvo, P, Beer, M, Rey, F.A.
登録日2018-07-19
公開日2019-02-27
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (3.168 Å)
主引用文献Orthobunyavirus spike architecture and recognition by neutralizing antibodies.
Nat Commun, 10, 2019
3P93
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BU of 3p93 by Molmil
Crystal structure of D-mannonate dehydratase from Chromohalobacter Salexigens complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
分子名称: 2-KETO-3-DEOXYGLUCONATE, D-MANNONIC ACID, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Wichelecki, D, Gerlt, J.A, Almo, S.C.
登録日2010-10-15
公開日2011-10-19
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献CRYSTAL STRUCTURE OF D-MANNONATE DEHYDRATASE FROM CHROMOHALOBACTER SALEXIGENS complexed with MG,D-Mannonate and 2-keto-3-deoxy-D-Gluconate
To be Published
2VXG
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BU of 2vxg by Molmil
Crystal structure of the conserved C-terminal region of Ge-1
分子名称: CG6181-PA, ISOFORM A
著者Jinek, M, Eulalio, A, Lingel, A, Helms, S, Conti, E, Izaurralde, E.
登録日2008-07-04
公開日2008-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The C-Terminal Region of Ge-1 Presents Conserved Structural Features Required for P-Body Localization.
RNA, 14, 2008
6H7B
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BU of 6h7b by Molmil
Structure of Leishmania PABP1 (domain J) complexed with a peptide containing the PAM2 motif of eIF4E4.
分子名称: HIS-HIS-MET-ASN-PRO-ASN-ALA-THR-GLU-PHE-MET-PRO, Polyadenylate-binding protein
著者Cameron, A.D, Firczuk, H, dos Santos Rodrigues, F.H, McCarthy, J.E.G.
登録日2018-07-31
公開日2018-12-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献The Leishmania PABP1-eIF4E4 interface: a novel 5'-3' interaction architecture for trans-spliced mRNAs.
Nucleic Acids Res., 47, 2019
3ONI
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BU of 3oni by Molmil
Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor JQ1
分子名称: (6S)-6-(2-tert-butoxy-2-oxoethyl)-4-(4-chlorophenyl)-2,3,9-trimethyl-6,7-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium, 1,2-ETHANEDIOL, Bromodomain containing 2, ...
著者Filippakopoulos, P, Picaud, S, Fedorov, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Bradner, J.E, Structural Genomics Consortium (SGC)
登録日2010-08-29
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Selective inhibition of BET bromodomains.
Nature, 468, 2010
7OFO
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BU of 7ofo by Molmil
NMR structure of the Bak transmembrane helix in lipid nanodiscs
分子名称: Bcl-2 homologous antagonist/killer
著者Sperl, L.E, Hagn, F.
登録日2021-05-05
公開日2021-06-23
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane.
Embo J., 40, 2021
4GKM
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BU of 4gkm by Molmil
Bianthranilate-like analogue bound in the outer site of anthranilate phosphoribosyltransferase (AnPRT; trpD)
分子名称: 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, 2-[(2-carboxyphenyl)amino]-5-methylbenzoic acid, Anthranilate phosphoribosyltransferase, ...
著者Evans, G.L, Baker, E.N, Lott, J.S, TB Structural Genomics Consortium (TBSGC)
登録日2012-08-13
公開日2013-08-14
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.6683 Å)
主引用文献Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium tuberculosis.
Chembiochem, 15, 2014
7OG6
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BU of 7og6 by Molmil
Structure of Alternanthera Mosaic VLP by cryoEM
分子名称: Coat protein, RNA (5'-R(P*UP*UP*UP*UP*U)-3')
著者Byrne, M.J, Ranson, N.A, Lomonossoff, G.P, Thuenemann, E.C.
登録日2021-05-06
公開日2021-06-23
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献A Replicating Viral Vector Greatly Enhances Accumulation of Helical Virus-Like Particles in Plants.
Viruses, 13, 2021
7OFM
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BU of 7ofm by Molmil
NMR structure of the Bak transmembrane helix in DPC micelles
分子名称: Bcl-2 homologous antagonist/killer
著者Sperl, L.E, Hagn, F.
登録日2021-05-05
公開日2021-06-23
最終更新日2024-06-19
実験手法SOLUTION NMR
主引用文献High-resolution analysis of the conformational transition of pro-apoptotic Bak at the lipid membrane.
Embo J., 40, 2021
3ZDH
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BU of 3zdh by Molmil
Crystal structure of Ls-AChBP complexed with carbamoylcholine analogue N,N-dimethyl-4-(1-methyl-1H-imidazol-2-yloxy)butan-2-amine
分子名称: (2R)-N,N-dimethyl-4-(1-methylimidazol-2-yl)oxy-butan-2-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Ussing, C.A, Hansen, C.P, Petersen, J.G, Jensen, A.A, Rohde, L.A.H, Ahring, P.K, Nielsen, E.O, Kastrup, J.S, Gajhede, M, Frolund, B, Balle, T.
登録日2012-11-26
公開日2013-02-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.195 Å)
主引用文献Synthesis, Pharmacology, and Biostructural Characterization of Novel Alpha(4)Beta(2) Nicotinic Acetylcholine Receptor Agonists.
J.Med.Chem., 56, 2013
5C59
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BU of 5c59 by Molmil
Crystal structure of the periplasmic region of MacB from E. coli
分子名称: Macrolide export ATP-binding/permease protein MacB
著者Ha, N.C, Kim, J.S.
登録日2015-06-19
公開日2016-06-22
最終更新日2020-02-19
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Crystal structure of the periplasmic region of MacB from E. coli
To Be Published
1CMF
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BU of 1cmf by Molmil
NMR SOLUTION STRUCTURE OF APO CALMODULIN CARBOXY-TERMINAL DOMAIN
分子名称: CALMODULIN (VERTEBRATE)
著者Finn, B.E, Evenas, J, Drakenberg, T, Waltho, J.P, Thulin, E, Forsen, S.
登録日1995-07-19
公開日1995-12-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Calcium-induced structural changes and domain autonomy in calmodulin.
Nat.Struct.Biol., 2, 1995
5CI2
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BU of 5ci2 by Molmil
Ribonucleotide reductase Y122 2,3,6-F3Y variant
分子名称: MU-OXO-DIIRON, Ribonucleoside-diphosphate reductase 1 subunit beta, SULFATE ION
著者Funk, M.A, Drennan, C.L.
登録日2015-07-10
公開日2016-06-22
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Biophysical Characterization of Fluorotyrosine Probes Site-Specifically Incorporated into Enzymes: E. coli Ribonucleotide Reductase As an Example.
J.Am.Chem.Soc., 138, 2016
4MW4
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BU of 4mw4 by Molmil
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea (Chem 1473)
分子名称: 1-{3-[(5-chloro-2-hydroxy-3-iodobenzyl)amino]propyl}-3-thiophen-3-ylurea, DIMETHYL SULFOXIDE, GLYCEROL, ...
著者Koh, C.Y, Kim, J.E, Wetzel, A.B, de van der Schueren, W.J, Shibata, S, Liu, J, Zhang, Z, Fan, E, Verlinde, C.L.M.J, Hol, W.G.J.
登録日2013-09-24
公開日2014-04-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structures of Trypanosoma brucei Methionyl-tRNA Synthetase with Urea-Based Inhibitors Provide Guidance for Drug Design against Sleeping Sickness.
Plos Negl Trop Dis, 8, 2014
3OZ3
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BU of 3oz3 by Molmil
Vinyl Carbocyclic LNA
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*(UVX)P*AP*CP*GP*C)-3')
著者Seth, P.R, Allerson, C.A, Berdeja, A, Siwkowski, A, Pallan, P.S, Gaus, H, Prakash, T.P, Watt, A.T, Egli, M, Swayze, E.E.
登録日2010-09-24
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献An exocyclic methylene group acts as a bioisostere of the 2'-oxygen atom in LNA.
J.Am.Chem.Soc., 132, 2010
2WIP
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BU of 2wip by Molmil
STRUCTURE OF CDK2-CYCLIN A COMPLEXED WITH 8-ANILINO-1-METHYL-4,5-DIHYDRO- 1H-PYRAZOLO[4,3-H] QUINAZOLINE-3-CARBOXYLIC ACID
分子名称: 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxylic acid, CELL DIVISION PROTEIN KINASE 2, CYCLIN-A2, ...
著者Brasca, M.G, Amboldi, N, Ballinari, D, Cameron, A.D, Casale, E, Cervi, G, Colombo, M, Colotta, F, Croci, V, Dalessio, R, Fiorentini, F, Isacchi, A, Mercurio, C, Moretti, W, Panzeri, A, Pastori, W, Pevarello, P, Quartieri, F, Roletto, F, Traquandi, G, Vianello, P, Vulpetti, A, Ciomei, M.
登録日2009-05-14
公開日2009-07-28
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of N,1,4,4-Tetramethyl-8-{[4-(4-Methylpiperazin-1-Yl)Phenyl]Amino}-4,5-Dihydro-1H-Pyrazolo[4,3-H]Quinazoline-3-Carboxamide (Pha-848125), a Potent, Orally Available Cyclin Dependent Kinase Inhibitor.
J.Med.Chem., 52, 2009
3OR2
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BU of 3or2 by Molmil
Crystal structure of dissimilatory sulfite reductase II (DsrII)
分子名称: IRON/SULFUR CLUSTER, SIROHEME, SULFITE ION, ...
著者Hsieh, Y.C, Liu, M.Y, Wang, V.C.C, Chiang, Y.L, Liu, E.H, Wu, W.G, Chan, S.I, Chen, C.J.
登録日2010-09-06
公開日2010-09-22
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Dissimilatory Sulfite Reductase, Sulfate Reduction
To be Published
2BE4
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BU of 2be4 by Molmil
X-RAY STRUCTURE AN EF-HAND PROTEIN FROM DANIO RERIO Dr.36843
分子名称: hypothetical protein LOC449832
著者Wesenberg, G.E, Phillips Jr, G.N, Han, B.W, Bitto, E, Bingman, C.A, Bae, E, Center for Eukaryotic Structural Genomics (CESG)
登録日2005-10-21
公開日2005-11-01
最終更新日2017-10-18
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献X-ray structure of Danio rerio secretagogin: A hexa-EF-hand calcium sensor.
Proteins, 76, 2009
2O2S
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BU of 2o2s by Molmil
The structure of T. gondii enoyl acyl carrier protein reductase in complex with NAD and triclosan
分子名称: Enoyl-acyl carrier reductase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, TRICLOSAN
著者Muench, S.P, Prigge, S.T, McLeod, R, Rafferty, J.B, Kirisits, M.J, Roberts, C.W, Mui, E.J, Rice, D.W.
登録日2006-11-30
公開日2006-12-26
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Studies of Toxoplasma gondii and Plasmodium falciparum enoyl acyl carrier protein reductase and implications for the development of antiparasitic agents
ACTA CRYSTALLOGR.,SECT.D, 63, 2007
5QER
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BU of 5qer by Molmil
PanDDA analysis group deposition -- Crystal structure of PTP1B in complex with compound_FMSOA000847b
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[(4-methylphenyl)sulfanyl]pyridine-3-carboxylic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Keedy, D.A, Hill, Z.B, Biel, J.T, Kang, E, Rettenmaier, T.J, Brandao-Neto, J, von Delft, F, Wells, J.A, Fraser, J.S.
登録日2018-08-30
公開日2018-10-10
最終更新日2019-02-06
実験手法X-RAY DIFFRACTION (1.733 Å)
主引用文献An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.
Elife, 7, 2018
1CMG
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BU of 1cmg by Molmil
NMR SOLUTION STRUCTURE OF CALCIUM-LOADED CALMODULIN CARBOXY-TERMINAL DOMAIN
分子名称: CALMODULIN (VERTEBRATE)
著者Evenas, J, Finn, B.E, Drakenberg, T, Waltho, J.P, Thulin, E, Forsen, S.
登録日1995-07-19
公開日1995-12-07
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Calcium-induced structural changes and domain autonomy in calmodulin.
Nat.Struct.Biol., 2, 1995
1CM1
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BU of 1cm1 by Molmil
MOTIONS OF CALMODULIN-SINGLE-CONFORMER REFINEMENT
分子名称: CALCIUM ION, CALMODULIN, CALMODULIN-DEPENDENT PROTEIN KINASE II-ALPHA
著者Wall, M.E, Phillips Jr, G.N.
登録日1997-09-23
公開日1998-03-04
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Motions of calmodulin characterized using both Bragg and diffuse X-ray scattering.
Structure, 5, 1997
8FP3
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BU of 8fp3 by Molmil
PKCeta kinase domain in complex with compound 11
分子名称: (3P)-3-{4-[(3R,5S)-3-amino-5-methylpiperidin-1-yl]-6-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl}benzonitrile, Protein kinase C eta type
著者Johnson, E.
登録日2023-01-03
公開日2023-04-05
最終更新日2023-04-26
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Design and Synthesis of Functionally Active 5-Amino-6-Aryl Pyrrolopyrimidine Inhibitors of Hematopoietic Progenitor Kinase 1.
J.Med.Chem., 66, 2023
2WMG
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BU of 2wmg by Molmil
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 (Sp4GH98) in complex with the LewisY pentasaccharide blood group antigen.
分子名称: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
著者Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
登録日2009-06-30
公開日2009-07-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009

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