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6YN3
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BU of 6yn3 by Molmil
Thrombin in complex with 4-hydroxybenzamide (j89)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-HYDROXYBENZAMIDE, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-04-10
公開日2021-04-21
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Thrombin in complex with 4-hydroxybenzamide (j89)
To be published
5CVE
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BU of 5cve by Molmil
Crystal Structure of human NRMT1 in complex with dimethylated fly H2B peptide and SAH
分子名称: N-terminal Xaa-Pro-Lys N-methyltransferase 1, N-terminal peptide from Histone H2B, S-ADENOSYL-L-HOMOCYSTEINE
著者Wu, R, Li, H.
登録日2015-07-26
公開日2015-11-25
最終更新日2025-04-09
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Molecular basis for histone N-terminal methylation by NRMT1
Genes Dev., 29, 2015
7RSK
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BU of 7rsk by Molmil
The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
分子名称: Glycosyl hydrolase family 2, sugar binding domain protein
著者Kim, Y, Nocek, B, Endres, M, Joachimiak, G, Johnson, J, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2021-08-11
公開日2021-08-25
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献The crystal structure from microfluidic crystals of glycosyl hydrolase family 2 (GH2) member from Bacteroides cellulosilyticus
To Be Published
5CWH
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BU of 5cwh by Molmil
Crystal structure of de novo designed helical repeat protein DHR14
分子名称: 1,2-ETHANEDIOL, Designed helical repeat protein
著者Bhabha, G, Ekiert, D.C.
登録日2015-07-28
公開日2015-12-16
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Exploring the repeat protein universe through computational protein design.
Nature, 528, 2015
4V4O
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BU of 4v4o by Molmil
Crystal Structure of the Chaperonin Complex Cpn60/Cpn10/(ADP)7 from Thermus Thermophilus
分子名称: ADENOSINE-5'-DIPHOSPHATE, DIMETHYL SULFOXIDE, MAGNESIUM ION, ...
著者Shimamura, T, Koike-Takeshita, A, Yokoyama, K, Masui, R, Murai, N, Yoshida, M, Taguchi, H, Iwata, S.
登録日2004-05-23
公開日2014-07-09
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the native chaperonin complex from Thermus thermophilus revealed unexpected asymmetry at the cis-cavity
STRUCTURE, 12, 2004
5XEZ
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BU of 5xez by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-{[(4-cyclohexylphenyl){[3-(methylsulfonyl)phenyl]carbamoyl}amino]methyl}-N-(1H-tetrazol-5-yl)benzamide, ...
著者Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
登録日2017-04-06
公開日2017-05-24
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017
4UQV
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BU of 4uqv by Molmil
methanococcus jannaschii serine hydroxymethyl-transferase in complex with PLP
分子名称: PYRIDOXAL-5'-PHOSPHATE, SERINE HYDROXYMETHYLTRANSFERASE
著者Saccoccia, F, Angelucci, F, Ilari, A.
登録日2014-06-25
公開日2014-07-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献The Crystal Structure of Archaeal Serine Hydroxymethyltransferase Reveals Idiosyncratic Features Likely Required to Withstand High Temperatures.
Proteins, 82, 2014
5CXV
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Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
分子名称: (1R,2R,4S,5S,7S)-7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.0~2,4~]nonane, 1,2-ETHANEDIOL, CHOLESTEROL HEMISUCCINATE, ...
著者Sun, B, Feng, D, Li, X, Kobilka, T.S, Kobilka, B.K.
登録日2015-07-29
公開日2016-03-09
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structures of the M1 and M4 muscarinic acetylcholine receptors.
Nature, 531, 2016
6YMP
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BU of 6ymp by Molmil
Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]oxetan-3-amine, DIMETHYL SULFOXIDE, ...
著者Scanlan, W, Heine, A, Klebe, G, Abazi, N.
登録日2020-04-09
公開日2021-04-21
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Thrombin in complex with 3-((5-(tert-butyl)isoxazol-3-yl)methyl)oxetan-3-amine (j54)
To be published
5CYI
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BU of 5cyi by Molmil
CDK2/Cyclin A covalent complex with 6-(cyclohexylmethoxy)-N-(4-(vinylsulfonyl)phenyl)-9H-purin-2-amine (NU6300)
分子名称: 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine, Cyclin-A2, Cyclin-dependent kinase 2
著者Anscombe, E, Meschini, E, Vidal, R.M, Martin, M.P, Staunton, D, Geitmann, M, Danielson, U.H, Stanley, W.A, Wang, L.Z, Reuillon, T, Golding, B.T, Cano, C, Newell, D.R, Noble, M.E.M, Wedge, S.R, Endicott, J.A, Griffin, R.J.
登録日2015-07-30
公開日2015-09-16
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Identification and Characterization of an Irreversible Inhibitor of CDK2.
Chem.Biol., 22, 2015
4V5I
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Structure of the Phage P2 Baseplate in its Activated Conformation with Ca
分子名称: CALCIUM ION, ORF15, ORF16, ...
著者Sciara, G, Bebeacua, C, Bron, P, Tremblay, D, Ortiz-Lombardia, M, Lichiere, J, van Heel, M, Campanacci, V, Moineau, S, Cambillau, C.
登録日2010-02-05
公開日2014-07-09
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (5.464 Å)
主引用文献Structure of Lactococcal Phage P2 Baseplate and its Mechanism of Activation.
Proc.Natl.Acad.Sci.USA, 107, 2010
5D11
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BU of 5d11 by Molmil
Kinase domain of cSrc in complex with RL235
分子名称: GLYCEROL, N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide, Proto-oncogene tyrosine-protein kinase Src
著者Becker, C, Gruetter, C, Engel, J, Rauh, D.
登録日2015-08-03
公開日2015-09-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Targeting Drug Resistance in EGFR with Covalent Inhibitors: A Structure-Based Design Approach.
J.Med.Chem., 58, 2015
5XGR
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BU of 5xgr by Molmil
Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
著者Xue, H, Qi, J, Song, H, Qihui, W, Shi, Y, Gao, G.F.
登録日2017-04-16
公開日2017-05-10
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure of the S1 subunit C-terminal domain from bat-derived coronavirus HKU5 spike protein
Virology, 507, 2017
7RN1
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BU of 7rn1 by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor Jun9-62-2R
分子名称: 3C-like proteinase, GLYCEROL, N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide, ...
著者Sacco, M, Chen, Y.
登録日2021-07-28
公開日2021-09-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Discovery of Di- and Trihaloacetamides as Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity.
J.Am.Chem.Soc., 143, 2021
4UYU
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BU of 4uyu by Molmil
STRUCTURE OF THE WNT DEACYLASE NOTUM - CRYSTAL FORM I IODIDE COMPLEX - 2.3A
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, IODIDE ION, ...
著者Zebisch, M, Jones, E.Y.
登録日2014-09-03
公開日2015-02-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Notum Deacylates Wnt Proteins to Suppress Signalling Activity.
Nature, 519, 2015
5DGF
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BU of 5dgf by Molmil
Complex of yeast 80S ribosome with hypusine-containing/non-modified eIF5A and/or a peptidyl-tRNA analog
分子名称: 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ...
著者Melnikov, S, Mailliot, J, Shin, B.-S, Rigger, L, Yusupova, G, Micura, R, Dever, T.E, Yusupov, M.
登録日2015-08-27
公開日2016-12-14
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Coping with proline stalling: structural basis of hypusine-induced protein synthesis by the eukaryotic ribosome
To Be Published
7RZC
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BU of 7rzc by Molmil
Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
分子名称: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
著者Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-08-27
公開日2021-09-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Papain-Like Protease of SARS CoV-2 in complex with Jun9-84-3 inhibitor
To be Published
5CQ4
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Crystal structure of the bromodomain of bromodomain adjacent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
分子名称: 1,2-ETHANEDIOL, 1-(3-hydroxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2B, ...
著者Bradley, A, Pearce, N, Krojer, T, Ng, J, Talon, R, Vollmar, M, Jose, B, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC)
登録日2015-07-21
公開日2015-09-09
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.782 Å)
主引用文献Crystal structure of the second bromodomain of bromodomain adjancent to zinc finger domain protein 2B (BAZ2B) in complex with 3'-Hydroxyacetophenone (SGC - Diamond I04-1 fragment screening)
To be published
4V43
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Structural and mechanistic basis for allostery in the bacterial chaperonin GroEL
分子名称: GROEL PROTEIN
著者Wang, J.
登録日2002-01-02
公開日2014-07-09
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (3.52 Å)
主引用文献A GroEL/GroES complex structure revisited: the structure-based mechanism of ATP hydrolysis
To be Published
5CQP
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GTB mutant with mercury - E303Q
分子名称: Histo-blood group ABO system transferase, MERCURY (II) ION
著者Gagnon, S.M.L, Blackler, R.J.
登録日2015-07-21
公開日2016-10-26
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Glycosyltransfer in mutants of putative catalytic residue Glu303 of the human ABO(H) A and B blood group glycosyltransferases GTA and GTB proceeds through a labile active site.
Glycobiology, 27, 2017
5D1K
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BU of 5d1k by Molmil
Crystal Structure of UbcH5B in Complex with the RING-U5BR Fragment of AO7
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase RNF25, ...
著者Liang, Y.-H, Li, S, Weissman, A.M, Ji, X.
登録日2015-08-04
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Insights into Ubiquitination from the Unique Clamp-like Binding of the RING E3 AO7 to the E2 UbcH5B.
J.Biol.Chem., 290, 2015
4V4K
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Bacteriophage P22 Portal Protein bound to middle Tail Factor GP4. This file contain the second biological assembly
分子名称: PACKAGED DNA STABILIZATION PROTEIN GP4, PORTAL PROTEIN
著者Olia, A.S, Cingolani, G.
登録日2010-04-19
公開日2014-07-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.251 Å)
主引用文献Three-dimensional structure of a viral genome-delivery portal vertex.
Nat.Struct.Mol.Biol., 18, 2011
4V51
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Structure of the Thermus thermophilus 70S ribosome complexed with mRNA, tRNA and paromomycin
分子名称: 16S ribosomal RNA, 23S RIBOSOMAL RNA, 30S RIBOSOMAL PROTEIN S10, ...
著者Selmer, M, Dunham, C.M, Murphy, F.V, Weixlbaumer, A, Petry, S, Weir, J.R, Kelley, A.C, Ramakrishnan, V.
登録日2006-07-31
公開日2014-07-09
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the 70S ribosome complexed with mRNA and tRNA.
Science, 313, 2006
5D1S
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Anthrax toxin lethal factor with hydroxamic acid inhibitor
分子名称: Lethal factor, N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide, ZINC ION
著者Maize, K.M, Finzel, B.C.
登録日2015-08-04
公開日2015-11-11
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Probing the S2' Subsite of the Anthrax Toxin Lethal Factor Using Novel N-Alkylated Hydroxamates.
J.Med.Chem., 58, 2015
5D1W
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Crystal structure of Mycobacterium tuberculosis Rv3249c transcriptional regulator.
分子名称: PALMITIC ACID, Rv3249c transcriptional regulator
著者Chou, T.-H, Delmar, J, Su, C.-C, Yu, E.
登録日2015-08-04
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.59 Å)
主引用文献Structural Basis for the Regulation of the MmpL Transporters of Mycobacterium tuberculosis.
J.Biol.Chem., 290, 2015

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