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4H00
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BU of 4h00 by Molmil
The crystal structure of mon-Zn dihydropyrimidinase from Tetraodon nigroviridis
分子名称: ZINC ION, dihydropyrimidinase
著者Hsieh, Y.C, Chen, M.C, Hsu, C.C, Chan, S.I, Yang, Y.S, Chen, C.J.
登録日2012-09-06
公開日2013-09-11
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Lysine Carboxylation: Metal and Structural Requirements for Post-translational Modification
To be Published
4YD7
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BU of 4yd7 by Molmil
Endothiapepsin in complex with fragment 255
分子名称: 2-(imidazo[1,2-a]pyridin-2-yl)-N-phenylacetamide, ACETATE ION, Endothiapepsin, ...
著者Stieler, M, Heine, A, Klebe, G.
登録日2015-02-21
公開日2016-03-02
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.419 Å)
主引用文献Crystallographic Fragment Screening of an Entire Library
To Be Published
8IAJ
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BU of 8iaj by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3A) complex
分子名称: N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, Protein ORM2, ...
著者Xie, T, Gong, X.
登録日2023-02-08
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
6WZM
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BU of 6wzm by Molmil
LY3041658 Fab bound to CXCL8
分子名称: 1,2-ETHANEDIOL, Interleukin-8, LY3041658 Fab heavy chain, ...
著者Durbin, J.D, Druzina, Z.
登録日2020-05-14
公開日2020-11-25
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.28 Å)
主引用文献Discovery and characterization of a neutralizing pan-ELR+CXC chemokine monoclonal antibody.
Mabs, 12
4Z4S
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BU of 4z4s by Molmil
Crystal structure of GII.10 P domain in complex with 150mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
8IAM
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BU of 8iam by Molmil
Cryo-EM structure of the yeast SPT-ORM2 (ORM2-S3D) complex
分子名称: Chimera of Long chain base biosynthesis protein 1 and Serine palmitoyltransferase 1, N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide, PYRIDOXAL-5'-PHOSPHATE, ...
著者Xie, T, Gong, X.
登録日2023-02-08
公開日2024-02-14
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Cell Rep, 43, 2024
6ZMB
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BU of 6zmb by Molmil
Structure of the native tRNA-Monooxygenase enzyme MiaE
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, ...
著者Carpentier, P, Atta, M.
登録日2020-07-02
公開日2020-09-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural, biochemical and functional analyses of tRNA-monooxygenase enzyme MiaE from Pseudomonas putida provide insights into tRNA/MiaE interaction.
Nucleic Acids Res., 48, 2020
6WUW
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BU of 6wuw by Molmil
Crystal structure of Human Serum Albumin complex with JMS-053
分子名称: 1,2-ETHANEDIOL, 7-imino-2-phenylthieno[3,2-c]pyridine-4,6(5H,7H)-dione, MYRISTIC ACID, ...
著者Czub, M.P, Cooper, D.R, Shabalin, I.G, Lazo, J.S, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2020-05-05
公開日2020-05-20
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure of the Complex of an Iminopyridinedione Protein Tyrosine Phosphatase 4A3 Phosphatase Inhibitor with Human Serum Albumin.
Mol.Pharmacol., 98, 2020
4Z4V
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BU of 4z4v by Molmil
Crystal structure of GII.10 P domain in complex with 19mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, NITRATE ION, ...
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
6NMQ
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BU of 6nmq by Molmil
Hypoxia-Inducible Factor (HIF) Prolyl Hydroxylase 2 (PHD2) in Complex with the Carboxamide Analog JNJ43058171
分子名称: Egl nine homolog 1, FE (II) ION, N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
著者Bembenek, S.D, Mirzadegan, T.
登録日2019-01-11
公開日2019-04-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Beyond Traditional Structure-Based Drug Design: The Role of Iron Complexation, Strain, and Water in the Binding of Inhibitors for Hypoxia-Inducible Factor Prolyl Hydroxylase 2.
Acs Omega, 4, 2019
6ZQP
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BU of 6zqp by Molmil
Structure of the Pmt2-MIR domain with bound ligands
分子名称: GLYCEROL, PMT2 isoform 1, SULFATE ION, ...
著者Wild, K, Chiapparino, A, Hackmann, Y, Mortensen, S, Sinning, I.
登録日2020-07-10
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional implications of MIR domains in protein O -mannosylation.
Elife, 9, 2020
7ZH8
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BU of 7zh8 by Molmil
DYRK1a in Complex with a Bromo-Triazolo-Pyridine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 6-bromanyl-3H-[1,2,3]triazolo[4,5-b]pyridine, CHLORIDE ION, ...
著者Dammann, M, Stahlecker, J, Stehle, T, Boeckler, F.M.
登録日2022-04-05
公開日2022-11-09
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Screening of a Halogen-Enriched Fragment Library Leads to Unconventional Binding Modes.
J.Med.Chem., 65, 2022
4RTF
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BU of 4rtf by Molmil
Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
分子名称: ADENOSINE-5'-TRIPHOSPHATE, Chaperone protein DnaK, TETRAETHYLENE GLYCOL
著者Filippova, E.V, Minasov, G, Kiryukhina, O, Endres, M, Babnigg, G, Rubin, E, Sacchettini, J, Joachimiak, A, Anderson, W.F, Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
登録日2014-11-14
公開日2014-12-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.77 Å)
主引用文献Crystal structure of molecular chaperone DnaK from Mycobacterium tuberculosis H37Rv
To be Published
6NOV
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BU of 6nov by Molmil
A Fab derived from ixekizumab
分子名称: DODECAETHYLENE GLYCOL, Fab Heavy Chain, Fab Light Chain
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, Schmitt, M, Atwell, S.
登録日2019-01-16
公開日2019-06-19
最終更新日2019-08-14
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Development of tibulizumab, a tetravalent bispecific antibody targeting BAFF and IL-17A for the treatment of autoimmune disease.
Mabs, 11, 2019
6NI4
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BU of 6ni4 by Molmil
Pseudomonas fluorescens isocyanide hydratase at 277 K G150T mutant
分子名称: Isonitrile hydratase InhA
著者Wilson, M.A, Dasgupta, M, van den Bedem, H.
登録日2018-12-26
公開日2019-11-20
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Mix-and-inject XFEL crystallography reveals gated conformational dynamics during enzyme catalysis.
Proc.Natl.Acad.Sci.USA, 116, 2019
5L88
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BU of 5l88 by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSILATED, CRYSTAL FORM I, non-parsimonious model
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, Anti-afamin antibody N14, Fab fragment, ...
著者Rupp, B, Naschberger, A.
登録日2016-06-07
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
5L9D
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BU of 5l9d by Molmil
AFAMIN ANTIBODY FRAGMENT, N14 FAB, L1- GLYCOSYLATED, CRYSTAL FORM I, parsimonious model
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, DI(HYDROXYETHYL)ETHER, ...
著者Rupp, B, Naschberger, A.
登録日2016-06-10
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献The N14 anti-afamin antibody Fab: a rare VL1 CDR glycosylation, crystallographic re-sequencing, molecular plasticity and conservative versus enthusiastic modelling.
Acta Crystallogr D Struct Biol, 72, 2016
8AU8
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BU of 8au8 by Molmil
Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
8AUM
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BU of 8aum by Molmil
OPR3 Y190F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate
分子名称: 12-oxophytodienoate reductase 3, DI(HYDROXYETHYL)ETHER, FLAVIN MONONUCLEOTIDE, ...
著者Polidori, N, Gruber, K.
登録日2022-08-25
公開日2023-03-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Mechanistic Insights into the Ene-Reductase-Catalyzed Promiscuous Reduction of Oximes to Amines.
Acs Catalysis, 13, 2023
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
分子名称: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
著者Maize, K.M, Finzel, B.C.
登録日2016-06-26
公開日2017-06-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
6ZQH
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BU of 6zqh by Molmil
Yeast Uba1 in complex with ubiquitin
分子名称: BETA-MERCAPTOETHANOL, GLYCEROL, TETRAETHYLENE GLYCOL, ...
著者Misra, M, Schindelin, H.
登録日2020-07-09
公開日2020-11-04
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.032 Å)
主引用文献Development of ADPribosyl Ubiquitin Analogues to Study Enzymes Involved in Legionella Infection.
Chemistry, 27, 2021
4Z4W
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BU of 4z4w by Molmil
Crystal structure of GII.10 P domain in complex with 4.7mM fucose
分子名称: 1,2-ETHANEDIOL, Capsid protein, beta-L-fucopyranose
著者Koromyslova, A.D, Leuthold, M.M, Hansman, G.S.
登録日2015-04-02
公開日2015-05-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献The sweet quartet: Binding of fucose to the norovirus capsid.
Virology, 483, 2015
6NYX
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BU of 6nyx by Molmil
Human parainfluenza virus type 3 fusion protein N-terminal heptad repeat domain+VI
分子名称: DI(HYDROXYETHYL)ETHER, Fusion glycoprotein F0, TETRAETHYLENE GLYCOL
著者Outlaw, V.K, Kreitler, D.F, Gellman, S.H.
登録日2019-02-12
公開日2019-07-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Dual Inhibition of Human Parainfluenza Type 3 and Respiratory Syncytial Virus Infectivity with a Single Agent.
J.Am.Chem.Soc., 141, 2019
7U1Y
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BU of 7u1y by Molmil
Structure of SPAC806.04c protein from fission yeast bound to AlF4 and Co2+
分子名称: COBALT (II) ION, Damage-control phosphatase SPAC806.04c, POTASSIUM ION, ...
著者Jacewicz, A, Sanchez, A.M, Shuman, S.
登録日2022-02-22
公開日2022-06-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献Fission yeast Duf89 and Duf8901 are cobalt/nickel-dependent phosphatase-pyrophosphatases that act via a covalent aspartyl-phosphate intermediate.
J.Biol.Chem., 298, 2022
5ID7
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BU of 5id7 by Molmil
Crystal structure of human serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, DI(HYDROXYETHYL)ETHER, Serum albumin, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.26 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016

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件を2024-07-17に公開中

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