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3PMD
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BU of 3pmd by Molmil
Crystal structure of the sporulation inhibitor pXO1-118 from Bacillus anthracis
分子名称: CHLORIDE ION, Conserved domain protein, UNDECANOIC ACID
著者Stranzl, G.R, Santelli, E, Bankston, L.A, La Clair, C, Bobkov, A, Schwarzenbacher, R, Godzik, A, Perego, M, Grynberg, M, Liddington, R.C.
登録日2010-11-16
公開日2011-01-19
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Structural Insights into Inhibition of Bacillus anthracis Sporulation by a Novel Class of Non-heme Globin Sensor Domains.
J.Biol.Chem., 286, 2011
3PNT
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BU of 3pnt by Molmil
Crystal Structure of the Streptococcus pyogenes NAD+ glycohydrolase SPN in complex with IFS, the Immunity Factor for SPN
分子名称: Immunity factor for SPN, NAD+-glycohydrolase
著者Smith, C.L, Stine Elam, J, Ellenberger, T, Ghosh, J, Pinkner, J.S, Hultgren, S.J, Caparon, M.G.
登録日2010-11-19
公開日2011-03-02
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Basis of Streptococcus pyogenes Immunity to Its NAD(+) Glycohydrolase Toxin.
Structure, 19, 2011
1UM6
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BU of 1um6 by Molmil
catalytic antibody 21h3
分子名称: antibody 21h3, H chain, L chain
著者Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
登録日2003-09-23
公開日2004-10-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
6GQP
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BU of 6gqp by Molmil
Crystal structure of human KDR (VEGFR2) kinase domain in complex with AZD3229-analogue (compound 23)
分子名称: Vascular endothelial growth factor receptor 2, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
著者Hardy, C.J, Schimpl, M, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
6GF1
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BU of 6gf1 by Molmil
The structure of the ubiquitin-like modifier FAT10 reveals a novel targeting mechanism for degradation by the 26S proteasome
分子名称: SULFATE ION, Ubiquitin D
著者Aichem, A, Anders, S, Catone, N, Roessler, P, Stotz, S, Berg, A, Schwab, R, Scheuermann, S, Bialas, J, Schmidtke, G, Peter, C, Groettrup, M, Wiesner, S.
登録日2018-04-28
公開日2018-08-29
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.925 Å)
主引用文献The structure of the ubiquitin-like modifier FAT10 reveals an alternative targeting mechanism for proteasomal degradation.
Nat Commun, 9, 2018
6QVM
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BU of 6qvm by Molmil
Undecaheme cytochrome from S-layer of Carboxydothermus ferrireducens
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Osipov, E.M, Dergousova, N.I, Boyko, K.M, Tikhonova, T.V, Gavrilov, S.F, Popov, V.O.
登録日2019-03-04
公開日2020-03-25
最終更新日2023-02-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Extracellular Fe(III) reductase structure reveals a modular organization enabling S-layer insertion and electron transfer to insoluble substrates
Structure, 2023
6GQL
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BU of 6gql by Molmil
Crystal structure of human c-KIT kinase domain in complex with AZD3229-analogue (compound 35)
分子名称: Mast/stem cell growth factor receptor Kit, ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
著者Schimpl, M, Hardy, C.J, Ogg, D.J, Overman, R.C, Packer, M.J, Kettle, J.G, Anjum, R, Barry, E, Bhavsar, D, Brown, C, Campbell, A, Goldberg, K, Grondine, M, Guichard, S, Hunt, T, Jones, O, Li, X, Moleva, O, Pearson, S, Shao, W, Smith, A, Smith, J, Stead, D, Stokes, S, Tucker, M, Ye, Y.
登録日2018-06-07
公開日2018-09-19
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Discovery of N-(4-{[5-Fluoro-7-(2-methoxyethoxy)quinazolin-4-yl]amino}phenyl)-2-[4-(propan-2-yl)-1 H-1,2,3-triazol-1-yl]acetamide (AZD3229), a Potent Pan-KIT Mutant Inhibitor for the Treatment of Gastrointestinal Stromal Tumors.
J. Med. Chem., 61, 2018
4B3S
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BU of 4b3s by Molmil
Crystal structure of the 30S ribosome in complex with compound 37
分子名称: (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranoside, 16S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Ng, C.L, Lang, K, Shcherbakov, D, Matt, T, Perez-Fernandez, D, Patak, R, Meyer, M, Duscha, S, Akbergenov, R, Boukari, H, Freihofer, P, Kudyba, I, Reddy, M.S.K, Nandurikar, R.S, Ramakrishnan, V, Vasella, A, Bottger, E.C.
登録日2012-07-26
公開日2013-08-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.15 Å)
主引用文献4'-O-Substitutions Determine Selectivity of Aminoglycoside Antibiotics
Nat.Commun., 5, 2014
4B0R
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BU of 4b0r by Molmil
Structure of the Deamidase-Depupylase Dop of the Prokaryotic Ubiquitin-like Modification Pathway
分子名称: DEAMIDASE-DEPUPYLASE DOP
著者Ozcelik, D, Barandun, J, Schmitz, N, Sutter, M, Guth, E, Damberger, F.F, Allain, F.H.-T, Ban, N, Weber-Ban, E.
登録日2012-07-04
公開日2012-09-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Structures of Pup ligase PafA and depupylase Dop from the prokaryotic ubiquitin-like modification pathway.
Nat Commun, 3, 2012
6QVO
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BU of 6qvo by Molmil
Crystal structure of human MTH1 in complex with N6-methyl-dAMP
分子名称: 7,8-dihydro-8-oxoguanine triphosphatase, GLYCEROL, N6-METHYL-DEOXY-ADENOSINE-5'-MONOPHOSPHATE, ...
著者Scaletti, E, Vallin, K.S, Brautigam, L, Sarno, A, Warpman Berglund, U, Helleday, T, Stenmark, P, Jemth, A.S.
登録日2019-03-04
公開日2020-03-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献MutT homologue 1 (MTH1) removes N6-methyl-dATP from the dNTP pool.
J.Biol.Chem., 295, 2020
6OT6
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BU of 6ot6 by Molmil
Rat ERK2 D319N
分子名称: Mitogen-activated protein kinase 1, SULFATE ION
著者Taylor, C.A, Goldsmith, E.J, Cobb, M.H.
登録日2019-05-02
公開日2019-07-10
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Functional divergence caused by mutations in an energetic hotspot in ERK2.
Proc.Natl.Acad.Sci.USA, 116, 2019
4AQG
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BU of 4aqg by Molmil
X-ray crystallographic structure of Crimean-congo haemorrhagic fever virus nucleoprotein
分子名称: NUCLEOPROTEIN, SULFATE ION
著者Wang, Y, Dutta, S, Karlberg, H, Devignot, S, Weber, F, Hao, Q, Tan, Y.J, Mirazimi, A, Kotaka, M.
登録日2012-04-17
公開日2012-09-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of Crimean-Congo Haemorraghic Fever Virus Nucleoprotein: Superhelical Homo-Oligomers and the Role of Caspase-3 Cleavage.
J.Virol., 86, 2012
1UXB
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BU of 1uxb by Molmil
ADENOVIRUS AD19p FIBRE HEAD in complex with sialyl-lactose
分子名称: ACETATE ION, FIBER PROTEIN, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose, ...
著者Burmeister, W.P, Guilligay, D, Cusack, S, Wadell, G, Arnberg, N.
登録日2004-02-24
公開日2004-07-01
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal Structure of Species D Adenovirus Fiber Knobs and Their Sialic Acid Binding Sites
J.Virol., 78, 2004
4A6B
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BU of 4a6b by Molmil
Stereoselective Synthesis, X-ray Analysis, and Biological Evaluation of a New Class of Lactam Based HIV-1 Protease Inhibitors
分子名称: METHYL ((S)-1-(2-([1,1'-BIPHENYL]-4-YLMETHYL)-2-(3-((3S,4S)-3-BENZYL-4-HYDROXY-1-((1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL)-2-OXOPYRROLIDIN-3-YL)PROPYL)HYDRAZINYL)-3,3-DIMETHYL-1-OXOBUTAN-2-YL)CARBAMATE, POL PROTEIN
著者Wu, X, Ohrngren, P, Joshi, A.A, Trejos, A, Persson, M, Unge, J, Arvela, R.K, Wallberg, H, Vrang, L, Rosenquist, A, Samuelsson, B.B, Unge, J, Larhed, M.
登録日2011-11-01
公開日2012-05-09
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Synthesis, X-Ray Analysis, and Biological Evaluation of a New Class of Stereopure Lactam-Based HIV-1 Protease Inhibitors.
J.Med.Chem., 55, 2012
4AIS
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BU of 4ais by Molmil
A complex structure of BtGH84
分子名称: GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395
著者He, Y, Davies, G.J.
登録日2012-02-13
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
1UM5
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BU of 1um5 by Molmil
Catalytic Antibody 21H3 with alcohol substrate
分子名称: 1-PHENYLETHANOL, Antibody 21H3 H chain, Antibody 21H3 L chain
著者Beuscher IV, A.E, Reuter, J, Olson, A.J, Romesberg, F.E, Schultz, P.G, Wirsching, P, Janda, K.D, Lerner, R.A, Stevens, R.C.
登録日2003-09-23
公開日2004-10-05
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Studies of an Efficient Catalytic Antibody Operating by Ping-Pong and Induced Fit Mechanisms
To be Published
6R2P
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BU of 6r2p by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with FMN and cinnamic acid
分子名称: FLAVIN MONONUCLEOTIDE, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-18
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.26 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To Be Published
3MFG
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BU of 3mfg by Molmil
Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)
分子名称: GLYCEROL, SULFATE ION, Toxic shock syndrome toxin-1, ...
著者Bonsor, D.A, Sundberg, E.J.
登録日2010-04-02
公開日2010-11-24
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)
To be Published
6R2R
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BU of 6r2r by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in dark) and alphafluorocinnamic acid
分子名称: (2Z)-2-fluoro-3-phenylprop-2-enoic acid, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-18
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R2T
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BU of 6r2t by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with prFMN (purified in the radical form) and phenylpropiolic acid
分子名称: 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y l)-D-ribitol, Ferulic acid decarboxylase 1, MANGANESE (II) ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-18
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.29 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
to be published
4A6R
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BU of 4a6r by Molmil
Crystal structure of the omega transaminase from Chromobacterium violaceum in the apo form, crystallised from polyacrylic acid
分子名称: OMEGA TRANSAMINASE, POLYACRYLIC ACID
著者Logan, D.T, Hakansson, M, Yengo, K, Svedendahl Humble, M, Engelmark Cassimjee, K, Walse, B, Abedi, V, Federsel, H.-J, Berglund, P.
登録日2011-11-08
公開日2012-01-25
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.349 Å)
主引用文献Crystal Structures of the Chromobacterium Violaceum Omega-Transaminase Reveal Major Structural Rearrangements Upon Binding of Coenzyme Plp.
FEBS J., 279, 2012
4A7E
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BU of 4a7e by Molmil
X-ray crystal structure of porcine insulin flash-cooled at high pressure
分子名称: INSULIN A CHAIN, INSULIN B CHAIN
著者Burkhardt, A, Warmer, M, Panneerselvam, S, Wagner, A, Reimer, R, Hohenberg, H, Meents, A.
登録日2011-11-14
公開日2011-11-30
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.856 Å)
主引用文献Fast High-Pressure Freezing of Protein Crystals in Their Mother Liquor
Acta Crystallogr.,Sect.F, 68, 2012
6R34
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BU of 6r34 by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and phenyl acetylene (Int3')
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-19
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
6R3L
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BU of 6r3l by Molmil
Aspergillus niger ferulic acid decarboxylase (Fdc) in complex with the covalent adduct formed between prFMN cofactor and cinnamic acid following decarboxylation (Int3)
分子名称: Ferulic acid decarboxylase 1, MANGANESE (II) ION, POTASSIUM ION, ...
著者Bailey, S.S, Leys, D.
登録日2019-03-20
公開日2019-08-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Atomic description of an enzyme reaction dependent on reversible 1,3-dipolar cycloaddition
To be published
3O55
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BU of 3o55 by Molmil
Crystal structure of human FAD-linked augmenter of liver regeneration (ALR)
分子名称: Augmenter of liver regeneration, FLAVIN-ADENINE DINUCLEOTIDE
著者Banci, L, Bertini, I, Calderone, V, Cefaro, C, Ciofi-Baffoni, S, Gallo, A, Kallergi, E, Lionaki, E, Pozidis, C, Tokatlidis, K.
登録日2010-07-28
公開日2011-04-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Molecular recognition and substrate mimicry drive the electron-transfer process between MIA40 and ALR.
Proc.Natl.Acad.Sci.USA, 108, 2011

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