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4W1V
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BU of 4w1v by Molmil
Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium tuberculosis, complexed with a thiazole inhibitor
分子名称: 1,2-ETHANEDIOL, Adenosylmethionine-8-amino-7-oxononanoate aminotransferase, CHLORIDE ION, ...
著者Finzel, B.C, Dai, R.
登録日2014-08-13
公開日2015-02-04
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献Target-Based Identification of Whole-Cell Active Inhibitors of Biotin Biosynthesis in Mycobacterium tuberculosis.
Chem.Biol., 22, 2015
3H8Z
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BU of 3h8z by Molmil
The Crystal Structure of the Tudor Domains from FXR2
分子名称: Fragile X mental retardation syndrome-related protein 2
著者Amaya, M.F, Dong, A, Adams-Cioaba, M.A, Guo, Y, MacKenzie, F, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
登録日2009-04-29
公開日2009-06-16
最終更新日2017-11-01
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
4V60
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BU of 4v60 by Molmil
The structure of rat liver vault at 3.5 angstrom resolution
分子名称: Major vault protein
著者Kato, K, Zhou, Y, Tanaka, H, Yao, M, Yamashita, E, Yoshimura, M, Tsukihara, T.
登録日2008-10-24
公開日2014-07-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献The structure of rat liver vault at 3.5 angstrom resolution
Science, 323, 2009
4W94
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Crystal structure of cross-linked tetragonal hen egg white lysozyme soaked with 5mM [Ru(CO)3Cl2]2
分子名称: CHLORIDE ION, DIMETHYLFORMAMIDE, Lysozyme C, ...
著者Tabe, H, Fujita, K, Abe, S, Tsujimoto, M, Kuchimaru, T, Kizaka-Kondo, S, Takano, M, Kitagawa, S, Ueno, T.
登録日2014-08-27
公開日2014-12-31
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Preparation of a Cross-Linked Porous Protein Crystal Containing Ru Carbonyl Complexes as a CO-Releasing Extracellular Scaffold
Inorg.Chem., 54, 2015
4W9E
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BU of 4w9e by Molmil
pVHL:EloB:EloC in complex with (2S,4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(thiazol-5-yl)benzyl)pyrrolidine-2-carboxamide (ligand 4)
分子名称: (4R)-1-(3,3-dimethylbutanoyl)-4-hydroxy-N-[4-(1,3-thiazol-5-yl)benzyl]-L-prolinamide, Transcription elongation factor B polypeptide 1, Transcription elongation factor B polypeptide 2, ...
著者Gadd, M.S, Soares, P, Galdeano, C, van Molle, I, Ciulli, A.
登録日2014-08-27
公開日2014-09-10
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structure-Guided Design and Optimization of Small Molecules Targeting the Protein-Protein Interaction between the von Hippel-Lindau (VHL) E3 Ubiquitin Ligase and the Hypoxia Inducible Factor (HIF) Alpha Subunit with in Vitro Nanomolar Affinities.
J.Med.Chem., 57, 2014
4W9P
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BU of 4w9p by Molmil
The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one
分子名称: (1S,5S,6R)-10-[(3,5-dichlorophenyl)sulfonyl]-5-[(1S)-1,2-dihydroxyethyl]-3-[2-(3,4-dimethoxyphenoxy)ethyl]-3,10-diazabicyclo[4.3.1]decan-2-one, ACETATE ION, Peptidyl-prolyl cis-trans isomerase FKBP5
著者Pomplun, S, Wang, Y, Kirschner, K, Kozany, C, Bracher, A, Hausch, F.
登録日2014-08-27
公開日2014-12-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Rational Design and Asymmetric Synthesis of Potent and Neurotrophic Ligands for FK506-Binding Proteins (FKBPs).
Angew.Chem.Int.Ed.Engl., 54, 2015
4W9W
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BU of 4w9w by Molmil
Crystal Structure of BMP-2-inducible kinase in complex with small molecule AZD-7762
分子名称: 1,2-ETHANEDIOL, 5-(3-fluorophenyl)-N-[(3S)-3-piperidyl]-3-ureido-thiophene-2-carboxamide, BMP-2-inducible protein kinase
著者Sorrell, F.J, Elkins, J.M, Krojer, T, Savitsky, P, Williams, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2014-08-28
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Family-wide Structural Analysis of Human Numb-Associated Protein Kinases.
Structure, 24, 2016
5VPO
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BU of 5vpo by Molmil
The 70S P-site ASL SufA6 complex
分子名称: 16S rRNA, 23S rRNA, 30S ribosomal protein S10, ...
著者Hong, S, Sunita, S, Dunkle, J.A, Maehigashi, T, Dunham, C.M.
登録日2017-05-05
公開日2018-09-26
最終更新日2018-11-07
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Mechanism of tRNA-mediated +1 ribosomal frameshifting.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
3UND
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BU of 3und by Molmil
Substrate-bound crystal structure of 2-dehydro-3-deoxyphosphooctonate aldolase from Burkholderia pseudomallei
分子名称: 1,2-ETHANEDIOL, 2-dehydro-3-deoxyphosphooctonate aldolase 2, 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2011-11-15
公開日2011-11-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Combining functional and structural genomics to sample the essential Burkholderia structome.
Plos One, 8, 2013
5VLH
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BU of 5vlh by Molmil
Short PCSK9 delta-P' complex with peptide Pep1
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-ARG-LEU-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-PRO-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
4WBR
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BU of 4wbr by Molmil
Structure of Bradyrhizobium japonicum ScoI with copper bound
分子名称: Blr1131 protein, COPPER (II) ION
著者Quade, N, Abicht, H.K, Hennecke, H, Glockshuber, R.
登録日2014-09-03
公開日2015-09-23
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structure of Bradyrhizobium japonicum ScoI with copper bound
To Be Published
5VLL
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BU of 5vll by Molmil
Short PCSK9 delta-P' complex with peptide Pep3
分子名称: ACE-THR-VAL-PHE-THR-SER-TRP-GLU-GLU-TYR-LEU-ASP-TRP-VAL-NH2, CALCIUM ION, CYS-PHE-ILE-PRO-TRP-ASN-LEU-GLN-ARG-ILE-GLY-LEU-LEU-CYS, ...
著者Eigenbrot, C, Ultsch, M.
登録日2017-04-25
公開日2017-08-16
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Discovery of a cryptic peptide-binding site on PCSK9 and design of antagonists.
Nat. Struct. Mol. Biol., 24, 2017
4WC3
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BU of 4wc3 by Molmil
Structure of tRNA-processing enzyme complex 1
分子名称: Poly A polymerase, RNA 76-mer
著者Yamashita, S, Tomita, K.
登録日2014-09-04
公開日2015-04-15
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Measurement of Acceptor-T Psi C Helix Length of tRNA for Terminal A76-Addition by A-Adding Enzyme.
Structure, 23, 2015
4WCM
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BU of 4wcm by Molmil
Crystal Structure of Cell Shape Determinant protein Csd4 Gln46His variant from Helicobacter pylori
分子名称: 2,6-DIAMINOPIMELIC ACID, Conserved hypothetical secreted protein, IODIDE ION, ...
著者Chan, A.C, Murphy, M.E.
登録日2014-09-05
公開日2014-12-24
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Helical Shape of Helicobacter pylori Requires an Atypical Glutamine as a Zinc Ligand in the Carboxypeptidase Csd4.
J.Biol.Chem., 290, 2015
8RKF
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BU of 8rkf by Molmil
Crystal structure of the ZP-N1 and ZP-N2 domains of human ZP2 (hZP2-N1N2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Zona pellucida sperm-binding protein 2
著者Dioguardi, E, Stsiapanava, A, de Sanctis, D, Jovine, L.
登録日2023-12-25
公開日2024-03-13
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献ZP2 cleavage blocks polyspermy by modulating the architecture of the egg coat.
Cell, 187, 2024
4WDH
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BU of 4wdh by Molmil
Catalytic domain of mouse 2',3'-cyclic nucleotide 3'- phosphodiesterase, with mutation Y168A
分子名称: 2',3'-cyclic-nucleotide 3'-phosphodiesterase, ACETIC ACID, CHLORIDE ION
著者Myllykoski, M, Raasakka, A, Kursula, P.
登録日2014-09-08
公開日2015-09-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Determinants of ligand binding and catalytic activity in the myelin enzyme 2',3'-cyclic nucleotide 3'-phosphodiesterase.
Sci Rep, 5, 2015
5D3Q
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BU of 5d3q by Molmil
Dynamin 1 GTPase-BSE fusion dimer complexed with GDP
分子名称: 1,2-ETHANEDIOL, Dynamin-1,Dynamin-1, GUANOSINE-5'-DIPHOSPHATE
著者Anand, R, Eschenburg, S, Reubold, T.F.
登録日2015-08-06
公開日2015-12-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the GTPase domain and the bundle signalling element of dynamin in the GDP state.
Biochem.Biophys.Res.Commun., 469, 2016
5VNH
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BU of 5vnh by Molmil
Crystal structure of Sec23a/Sec24a/Sec22 complexed with a C-terminal SV sorting motif
分子名称: C-terminal SV motif, Protein transport protein Sec23A, Protein transport protein Sec24A, ...
著者Ma, W, Goldberg, J.
登録日2017-04-30
公開日2017-07-05
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献ER retention is imposed by COPII protein sorting and attenuated by 4-phenylbutyrate.
Elife, 6, 2017
4WED
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BU of 4wed by Molmil
Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
分子名称: ABC transporter, periplasmic solute-binding protein, FORMIC ACID, ...
著者Shabalin, I.G, Otwinowski, Z, Bacal, P, Cymborowski, M.T, Handing, K.B, Stead, M, Hammonds, J, Ahmed, M, Bonanno, J, Seidel, R, Almo, S.C, Minor, W, New York Structural Genomics Research Consortium (NYSGRC)
登録日2014-09-09
公開日2014-09-24
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Crystal structure of ABC transporter substrate-binding protein from Sinorhizobium meliloti
to be published
7LA5
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BU of 7la5 by Molmil
Structure of human GGT1 in complex with Lnt1-172 compound.
分子名称: (2R)-4-borono-2-{[(1H-imidazol-4-yl)methyl]amino}butanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Terzyan, S.S, Hanigan, M, Nguen, L.
登録日2021-01-05
公開日2022-01-12
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Structure of human GGT1 in complex with Lnt1-172 compound.
To Be Published
5VOF
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DesGla-XaS195A Bound to Aptamer 11F7t and Rivaroxaban
分子名称: 5-chloro-N-({(5S)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-5-yl}methyl)thiophene-2-carboxamide, CALCIUM ION, Coagulation factor X, ...
著者Krishnaswamy, S, Kumar, S.
登録日2017-05-02
公開日2018-06-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Combination of aptamer and drug for reversible anticoagulation in cardiopulmonary bypass.
Nat. Biotechnol., 36, 2018
4V1D
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BU of 4v1d by Molmil
Ternary complex among two human derived single chain antibody fragments and Cn2 toxin from scorpion Centruroides noxius.
分子名称: BETA-MAMMAL TOXIN CN2, SINGLE CHAIN ANTIBODY FRAGMENT LR, HEAVY CHAIN, ...
著者Riano-Umbarila, L, Serrano-Posada, H, Rojas-Trejo, S, Rudino-Pinera, E, Becerril, B.
登録日2014-09-25
公開日2015-10-07
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Optimal Neutralization of Centruroides Noxius Venom is Understood Through a Structural Complex between Two Antibody Fragments and the Cn2 Toxin.
J.Biol.Chem., 291, 2016
5VXQ
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BU of 5vxq by Molmil
X-Ray crystallography structure of the parallel stranded duplex formed by 5-rA5-dA-rA5
分子名称: AMMONIUM ION, DNA/RNA (5'-R(*AP*AP*AP*AP*A)-D(P*A)-R(P*AP*AP*AP*AP*A)-3')
著者Xie, J, Chen, Y, Wei, X, Kozlov, G, Gehring, K.
登録日2017-05-23
公開日2017-08-16
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.002 Å)
主引用文献Influence of nucleotide modifications at the C2' position on the Hoogsteen base-paired parallel-stranded duplex of poly(A) RNA.
Nucleic Acids Res., 45, 2017
2FVM
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BU of 2fvm by Molmil
Crystal structure of dihydropyrimidinase from Saccharomyces kluyveri in complex with the reaction product N-carbamyl-beta-alanine
分子名称: N-(AMINOCARBONYL)-BETA-ALANINE, ZINC ION, dihydropyrimidinase
著者Dobritzsch, D, Lohkamp, B.
登録日2006-01-31
公開日2006-03-14
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献The Crystal Structures of Dihydropyrimidinases Reaffirm the Close Relationship between Cyclic Amidohydrolases and Explain Their Substrate Specificity.
J.Biol.Chem., 281, 2006
2FYV
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BU of 2fyv by Molmil
Golgi alpha-mannosidase II complex with an amino-salacinol carboxylate analog
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-DEOXY-6-[(2R,3R,4R)-3,4-DIHYDROXY-2-(HYDROXYMETHYL)PYRROLIDIN-1-YL]-L-GULONIC ACID, ...
著者Kuntz, D.A, Hamlet, T, Rose, D.R.
登録日2006-02-08
公開日2006-12-26
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Synthesis, enzymatic activity, and X-ray crystallography of an unusual class of amino acids.
Bioorg.Med.Chem., 14, 2006

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