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6XPU
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Nucleoside Diphosphate Kinase from Aspergillus fumgiatus Af293 bound to IDP
分子名称: INOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Nucleoside diphosphate kinase
著者Nguyen, S, Bruning, J.B.
登録日2020-07-09
公開日2020-11-04
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Nucleoside selectivity of Aspergillus fumigatus nucleoside-diphosphate kinase.
Febs J., 288, 2021
5MPR
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BU of 5mpr by Molmil
Single Amino Acid Variant of Human Mitochondrial Branched Chain Amino Acid Aminotransferase 2
分子名称: 1,2-ETHANEDIOL, Branched-chain-amino-acid aminotransferase, mitochondrial, ...
著者Hakansson, M, Walse, B, Nilsson, C, Anderson, L.C.
登録日2016-12-18
公開日2017-07-19
最終更新日2019-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Intact Protein Analysis at 21 Tesla and X-Ray Crystallography Define Structural Differences in Single Amino Acid Variants of Human Mitochondrial Branched-Chain Amino Acid Aminotransferase 2 (BCAT2).
J. Am. Soc. Mass Spectrom., 28, 2017
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
分子名称: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
著者Jenson, J.M, Keating, A.E.
登録日2018-08-29
公開日2019-03-06
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
1R51
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BU of 1r51 by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 8-AZAXANTHIN
分子名称: 8-AZAXANTHINE, CYSTEINE, Uricase
著者Prange, T, Retailleau, P, Colloc'h, N.
登録日2003-10-09
公開日2004-03-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
6YD9
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BU of 6yd9 by Molmil
Ecoli GyrB24 with inhibitor 16a
分子名称: 1,2-ETHANEDIOL, DNA gyrase subunit B, N-[6-(3-azanylpropanoylamino)-1,3-benzothiazol-2-yl]-3,4-bis(chloranyl)-5-methyl-1H-pyrrole-2-carboxamide
著者Barancokova, M, Skok, Z, Benek, O, Cruz, C.D, Tammela, P, Tomasic, T, Zidar, N, Masic, L.P, Zega, A, Stevenson, C.E.M, Mundy, J, Lawson, D.M, Maxwell, A.M, Kikelj, D, Ilas, J.
登録日2020-03-20
公開日2020-12-30
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Exploring the Chemical Space of Benzothiazole-Based DNA Gyrase B Inhibitors.
Acs Med.Chem.Lett., 11, 2020
6FHP
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BU of 6fhp by Molmil
DAIP in complex with a C-terminal fragment of thermolysin
分子名称: Dispase autolysis-inducing protein, Thermolysin
著者Schmelz, S, Fiebig, D, Fuchsbauer, H.L, Blankenfeldt, W, Scrima, A.
登録日2018-01-15
公開日2018-09-12
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.703 Å)
主引用文献Destructive twisting of neutral metalloproteases: the catalysis mechanism of the Dispase autolysis-inducing protein from Streptomyces mobaraensis DSM 40487.
FEBS J., 285, 2018
6NOU
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BU of 6nou by Molmil
An scFv derived from ixekizumab
分子名称: GLYCEROL, scFv derived from ixekizumab
著者Durbin, J.D, Clawson, D.K, Lu, F, Tian, Y, Lu, J, 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 (1.914 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
6Y86
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BU of 6y86 by Molmil
Active YidC insertase crystal structure with the first transmembrane domain resolved
分子名称: Membrane protein insertase YidC
著者Li, X.D, Nass, K.
登録日2020-03-03
公開日2021-09-22
最終更新日2022-04-06
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献The role of the N-terminal amphipathic helix in bacterial YidC: Insights from functional studies, the crystal structure and molecular dynamics simulations.
Biochim Biophys Acta Biomembr, 1864, 2022
1R4S
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BU of 1r4s by Molmil
URATE OXIDASE FROM ASPERGILLUS FLAVUS COMPLEXED WITH ITS INHIBITOR 9-METHYL URIC ACID
分子名称: 9-METHYL URIC ACID, CYSTEINE, Uricase
著者Retailleau, P, Colloc'h, N, Prange, T.
登録日2003-10-08
公開日2004-03-02
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Complexed and ligand-free high-resolution structures of urate oxidase (Uox) from Aspergillus flavus: a reassignment of the active-site binding mode.
Acta Crystallogr.,Sect.D, 60, 2004
4TYD
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BU of 4tyd by Molmil
Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease
分子名称: (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide, CHLORIDE ION, NS3 protease, ...
著者Parsy, C.
登録日2014-07-08
公開日2014-09-10
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.
Bioorg.Med.Chem.Lett., 24, 2014
3K3E
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BU of 3k3e by Molmil
Crystal structure of the PDE9A catalytic domain in complex with (R)-BAY73-6691
分子名称: 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A, MAGNESIUM ION, ...
著者Wang, H, Luo, X, Ye, M, Hou, J, Robinson, H, Ke, H.
登録日2009-10-02
公開日2010-02-16
最終更新日2013-11-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Insight into Binding of Phosphodiesterase-9A Selective Inhibitors by Crystal Structures and Mutagenesis
J.Med.Chem., 53, 2010
6U60
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BU of 6u60 by Molmil
Crystal structure of prephenate dehydrogenase tyrA from Bacillus anthracis in complex with NAD and L-tyrosine
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, PHOSPHATE ION, Prephenate dehydrogenase, ...
著者Shabalin, I.G, Hou, J, Kutner, J, Grimshaw, S, Christendat, D, Anderson, W.F, Minor, W, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2019-08-28
公開日2019-09-11
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural and biochemical analysis of Bacillus anthracis prephenate dehydrogenase reveals an unusual mode of inhibition by tyrosine via the ACT domain.
Febs J., 287, 2020
5JPN
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BU of 5jpn by Molmil
Structure of human complement C4 rebuilt using iMDFF
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C4-A, ...
著者Croll, T.I, Andersen, G.R.
登録日2016-05-03
公開日2016-08-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.6 Å)
主引用文献Re-evaluation of low-resolution crystal structures via interactive molecular-dynamics flexible fitting (iMDFF): a case study in complement C4.
Acta Crystallogr D Struct Biol, 72, 2016
6MXR
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BU of 6mxr by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
5K9H
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BU of 5k9h by Molmil
Crystal structure of a glycoside hydrolase 29 family member from an unknown rumen bacterium
分子名称: 0940_GH29, GLYCEROL, SODIUM ION, ...
著者Summers, E.L, Arcus, V.L.
登録日2016-05-31
公開日2016-09-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.029 Å)
主引用文献The structure of a glycoside hydrolase 29 family member from a rumen bacterium reveals unique, dual carbohydrate-binding domains.
Acta Crystallogr.,Sect.F, 72, 2016
6MY4
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BU of 6my4 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98M,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R, Picard, M.-E, Manenda, M.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
5YNZ
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BU of 5ynz by Molmil
Crystal structure of the dihydroorotase domain (K1556A) of human CAD
分子名称: CAD protein, ZINC ION
著者Huang, Y.H, Chen, K.L, Cheng, J.H, Huang, C.Y.
登録日2017-10-26
公開日2018-10-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.774 Å)
主引用文献Crystal structures of monometallic dihydropyrimidinase and the human dihydroorotase domain K1556A mutant reveal no lysine carbamylation within the active site
Biochem. Biophys. Res. Commun., 505, 2018
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
5L7X
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BU of 5l7x by Molmil
Afamin antibody fragment, N14 Fab, L1- glycosylated, crystal form II
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, Mouse Antibody Fab Fragment, ...
著者Rupp, B, Naschberger, A.
登録日2016-06-04
公開日2016-07-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 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
8GW5
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BU of 8gw5 by Molmil
Crystal structure of SaSsbA complexed with glycerol
分子名称: GLYCEROL, Single-stranded DNA-binding protein
著者Yang, P.C, Huang, H.Y, Huang, C.Y.
登録日2022-09-16
公開日2023-09-20
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of DNA Replication Protein SsbA Complexed with the Anticancer Drug 5-Fluorouracil.
Int J Mol Sci, 24, 2023
6MY5
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BU of 6my5 by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M,LC-S30bR]
分子名称: 1,2-ETHANEDIOL, anti-VEGF-A Fab fragment bH1 heavy chain, anti-VEGF-A Fab fragment bH1 light chain
著者Shi, R.
登録日2018-11-01
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
6MXS
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BU of 6mxs by Molmil
Crystal structure of the dimeric bH1-Fab variant [HC-Y33W,HC-D98F,HC-G99M]
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, SODIUM ION, ...
著者Shi, R, Picard, M.-E, Manenda, M.S.
登録日2018-10-31
公開日2019-07-31
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Binding symmetry and surface flexibility mediate antibody self-association.
Mabs, 11, 2019
5ZCM
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BU of 5zcm by Molmil
Crystal structure of Xylose reductase from Debaryomyces nepalensis in complex with NADP-DTT adduct
分子名称: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, Aldose reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Manoj, N.
登録日2018-02-19
公開日2018-11-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of yeast xylose reductase in complex with a novel NADP-DTT adduct provides insights into substrate recognition and catalysis.
FEBS J., 285, 2018
5LGH
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BU of 5lgh by Molmil
Afamin antibody fragment, N14 Fab, L1- glycosilated, crystal form II, same as 5L7X, but isomorphous setting indexed same as 5L88, 5L9D
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DI(HYDROXYETHYL)ETHER, MOUSE ANTIBODY FAB FRAGMENT, ...
著者Rupp, B, Naschberger, A.
登録日2016-07-07
公開日2016-08-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.86 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

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