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7JTC
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BU of 7jtc by Molmil
Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
分子名称: 1,2-ETHANEDIOL, 1-{6-[(3R)-3-methylmorpholin-4-yl]-2-(methylsulfanyl)pyrimidin-4-yl}cyclopropane-1-sulfonimidoamide, Transcription initiation factor TFIID subunit 1
著者Karim, M.R, Schonbrunn, E.
登録日2020-08-17
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Crystal structure of the second bromodomain (BD2) of human TAF1 bound to ZS1-322
To Be Published
7JKW
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Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with ZN1-99
分子名称: Bromodomain-containing protein 4, N-(6-{5-[(azetidin-3-yl)amino]-1-methyl-6-oxo-1,6-dihydropyridin-3-yl}-1-[1,1-di(pyridin-2-yl)ethyl]-1H-indol-4-yl)ethanesulfonamide
著者Ratia, K.M, Xiong, R, Li, Y, Shen, Z, Zhao, J, Huang, F, Dubrovyskyii, O, Thatcher, G.R.
登録日2020-07-29
公開日2021-08-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib.
J.Med.Chem., 63, 2020
1LTI
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BU of 1lti by Molmil
HEAT-LABILE ENTEROTOXIN (LT-I) COMPLEX WITH T-ANTIGEN
分子名称: HEAT LABILE ENTEROTOXIN TYPE I, beta-D-galactopyranose, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-alpha-D-galactopyranose
著者Van Den Akker, F, Hol, W.G.J.
登録日1996-05-09
公開日1996-08-17
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Tumor marker disaccharide D-Gal-beta 1, 3-GalNAc complexed to heat-labile enterotoxin from Escherichia coli.
Protein Sci., 5, 1996
4OFM
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BU of 4ofm by Molmil
Triclinic NaGST1
分子名称: GLUTATHIONE, Glutathione S-transferase-1
著者Asojo, O.A.
登録日2014-01-15
公開日2014-12-03
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of glutathione S-transferase 1 from the major human hookworm parasite Necator americanus (Na-GST-1) in complex with glutathione.
Acta Crystallogr F Struct Biol Commun, 70, 2014
2CJP
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BU of 2cjp by Molmil
Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1)
分子名称: 1,2-ETHANEDIOL, 2-PROPYLPENTANAMIDE, EPOXIDE HYDROLASE, ...
著者Mowbray, S.L, Elfstrom, L.T, Ahlgren, K.M, Andersson, C.E, Widersten, M.
登録日2006-04-05
公開日2006-06-07
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献X-Ray Structure of Potato Epoxide Hydrolase Sheds Light on Substrate Specificity in Plant Enzymes.
Protein Sci., 15, 2006
5RFR
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BU of 5rfr by Molmil
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102169
分子名称: 1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-03-15
公開日2020-03-25
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
5RGP
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PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771)
分子名称: 1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日2020-04-07
公開日2020-04-15
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease.
Nat Commun, 11, 2020
3UQD
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BU of 3uqd by Molmil
Crystal structure of the Phosphofructokinase-2 from Escherichia coli in complex with substrates and products
分子名称: 1,6-di-O-phosphono-beta-D-fructofuranose, 6-O-phosphono-beta-D-fructofuranose, 6-phosphofructokinase isozyme 2, ...
著者Pereira, H.M, Caniuguir, A, Baez, M, Cabrera, R, Babul, J.
登録日2011-11-20
公開日2012-11-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Studying the phosphoryl transfer mechanism of theE. coliphosphofructokinase-2: from X-ray structure to quantum mechanics/molecular mechanics simulations.
Chem Sci, 10, 2019
4HNP
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BU of 4hnp by Molmil
Crystal structure of yeast 20S proteasome in complex with vinylketone carmaphycin analogue VNK1
分子名称: N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylhept-1-en-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, N-hexanoyl-L-valyl-N~1~-[(3S,4S)-3-hydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide, Proteasome component C1, ...
著者Trivella, D.B.B, Stein, M, Groll, M.
登録日2012-10-20
公開日2014-01-29
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Enzyme inhibition by hydroamination: design and mechanism of a hybrid carmaphycin-syringolin enone proteasome inhibitor.
Chem.Biol., 21, 2014
1RRO
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BU of 1rro by Molmil
REFINEMENT OF RECOMBINANT ONCOMODULIN AT 1.30 ANGSTROMS RESOLUTION
分子名称: CALCIUM ION, RAT ONCOMODULIN
著者Ahmed, F.R, Rose, D.R, Evans, S.V, Pippy, M.E, To, R.
登録日1992-08-27
公開日1993-10-31
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Refinement of recombinant oncomodulin at 1.30 A resolution.
J.Mol.Biol., 230, 1993
2WSV
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BU of 2wsv by Molmil
Galectin domain of porcine adenovirus type 4 NADC-1 isolate fibre complexed with lactose
分子名称: NITRATE ION, PUTATIVE FIBER PROTEIN, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Guardado-Calvo, P, Munoz, E.M, Llamas-Saiz, A.L, Fox, G.C, Glasgow, J.N, van Raaij, M.J.
登録日2009-09-10
公開日2010-08-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystallographic structure of porcine adenovirus type 4 fiber head and galectin domains.
J. Virol., 84, 2010
2CKF
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BU of 2ckf by Molmil
Crystal Structure of the Terminal Component of the PAH-hydroxylating Dioxygenase from Sphingomonas sp CHY-1
分子名称: FE (III) ION, FE2/S2 (INORGANIC) CLUSTER, RING-HYDROXYLATING DIOXYGENASE ALPHA SUBUNIT, ...
著者Jakoncic, J, Meyer, C, Jouanneau, Y, Stojanoff, V.
登録日2006-04-18
公開日2007-01-02
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Catalytic Pocket of the Ring-Hydroxylating Dioxygenase from Sphingomonas Chy-1.
Biochem.Biophys.Res.Commun., 352, 2007
2PN1
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BU of 2pn1 by Molmil
Crystal structure of carbamoylphosphate synthase large subunit (split gene in MJ) (ZP_00538348.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution
分子名称: Carbamoylphosphate synthase large subunit, GLYCEROL
著者Joint Center for Structural Genomics (JCSG)
登録日2007-04-23
公開日2007-05-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of carbamoylphosphate synthase large subunit (split gene in MJ) (ZP_00538348.1) from Exiguobacterium sp. 255-15 at 2.00 A resolution
To be published
1ZZL
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BU of 1zzl by Molmil
Crystal structure of P38 with triazolopyridine
分子名称: 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE, Mitogen-activated protein kinase 14
著者McClure, K.F, Han, S.
登録日2005-06-14
公開日2005-09-13
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Theoretical and Experimental Design of Atypical Kinase Inhibitors: Application to p38 MAP Kinase.
J.Med.Chem., 48, 2005
2INR
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BU of 2inr by Molmil
Crystal structure of a 59 kDa fragment of topoisomerase IV subunit A (GrlA) from Staphylococcus aureus
分子名称: 1,2-ETHANEDIOL, DNA topoisomerase 4 subunit A
著者Carr, S.B.
登録日2006-10-09
公開日2007-09-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of a 59 kDa fragment of topoisomerase IV subunit A (GrlA) from Staphylococcus aureus
To be Published
1VQ1
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BU of 1vq1 by Molmil
Crystal structure of N5-glutamine methyltransferase, HemK(EC 2.1.1.-) (TM0488) from Thermotoga maritima at 2.80 A resolution
分子名称: N5-glutamine methyltransferase, HemK, S-ADENOSYLMETHIONINE
著者Joint Center for Structural Genomics (JCSG)
登録日2004-12-02
公開日2005-02-01
最終更新日2024-11-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of N5-glutamine methyltransferase, HemK(EC 2.1.1.-) (TM0488) from Thermotoga maritima at 2.80 A resolution
To be published
1BA4
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BU of 1ba4 by Molmil
THE SOLUTION STRUCTURE OF AMYLOID BETA-PEPTIDE (1-40) IN A WATER-MICELLE ENVIRONMENT. IS THE MEMBRANE-SPANNING DOMAIN WHERE WE THINK IT IS? NMR, 10 STRUCTURES
分子名称: AMYLOID BETA-PEPTIDE
著者Coles, M, Bicknell, W, Watson, A.A, Fairlie, D.P, Craik, D.J.
登録日1998-04-07
公開日1998-06-17
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献Solution structure of amyloid beta-peptide(1-40) in a water-micelle environment. Is the membrane-spanning domain where we think it is?
Biochemistry, 37, 1998
2PQX
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BU of 2pqx by Molmil
E. coli RNase 1 (in vivo folded)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, Ribonuclease I
著者Messens, J, Loris, R, Wyns, L.
登録日2007-05-03
公開日2007-09-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Crystal structure of E. coli ribonuclease 1
To be Published
3RXP
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BU of 3rxp by Molmil
Crystal structure of Trypsin complexed with (1,5-dimethylpyrazol-3-yl)methanamine
分子名称: 1-(1,5-dimethyl-1H-pyrazol-3-yl)methanamine, CALCIUM ION, Cationic trypsin, ...
著者Yamane, J, Yao, M, Zhou, Y, Tanaka, I.
登録日2011-05-10
公開日2011-08-24
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献In-crystal affinity ranking of fragment hit compounds reveals a relationship with their inhibitory activities
J.Appl.Crystallogr., 44, 2011
3O74
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BU of 3o74 by Molmil
Crystal structure of Cra transcriptional dual regulator from Pseudomonas putida
分子名称: Fructose transport system repressor FruR, GLYCEROL
著者Chavarria, M, Santiago, C, Platero, R, Krell, T, Casasnovas, J.M, de Lorenzo, V.
登録日2010-07-30
公開日2011-01-12
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Fructose 1-phosphate is the preferred effector of the metabolic regulator Cra of Pseudomonas putida
J.Biol.Chem., 286, 2011
3O83
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Structure of BasE N-terminal domain from Acinetobacter baumannii bound to 2-(4-n-dodecyl-1,2,3-triazol-1-yl)-5'-O-[N-(2-hydroxybenzoyl)sulfamoyl]adenosine
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 2-(4-dodecyl-1H-1,2,3-triazol-1-yl)-5'-O-{[(2-hydroxyphenyl)carbonyl]sulfamoyl}adenosine, ...
著者Drake, E.J, Duckworth, B.P, Neres, J, Aldrich, C.C, Gulick, A.M.
登録日2010-08-02
公開日2010-10-06
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Biochemical and structural characterization of bisubstrate inhibitors of BasE, the self-standing nonribosomal peptide synthetase adenylate-forming enzyme of acinetobactin synthesis.
Biochemistry, 49, 2010
1B0M
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BU of 1b0m by Molmil
ACONITASE R644Q:FLUOROCITRATE COMPLEX
分子名称: CITRATE ANION, IRON/SULFUR CLUSTER, PROTEIN (ACONITASE)
著者Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D.
登録日1998-11-11
公開日1998-11-18
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
3UO9
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BU of 3uo9 by Molmil
Crystal Structure of Human GAC in Complex with Glutamate and BPTES
分子名称: GLYCEROL, Glutaminase kidney isoform, mitochondrial, ...
著者DeLaBarre, B, Gross, S, Cheng, F, Gao, Y, Jha, A, Jiang, F, Song, J.J, Wei, W, Hurov, J.B.
登録日2011-11-16
公開日2011-12-07
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Full-length human glutaminase in complex with an allosteric inhibitor.
Biochemistry, 50, 2011
1MD6
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BU of 1md6 by Molmil
High resolution crystal structure of murine IL-1F5 reveals unique loop conformation for specificity
分子名称: interleukin 1 family, member 5 (delta)
著者Pei, X.Y, Dunn, E.F, Gay, N.J, O'Neill, L.A.
登録日2002-08-07
公開日2003-09-30
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献High-Resolution Structure of Murine Interleukin 1 Homologue IL-1F5 Reveals Unique Loop Conformations for Receptor Binding Specificity.
Biochemistry, 42, 2003
3S3H
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Crystal structure of the catalytic domain of PTP10D from Drosophila melanogaster with a phosphopeptide substrate GP4
分子名称: 1,4-BUTANEDIOL, 1-BUTANOL, Tyrosine-protein phosphatase 10D, ...
著者Madan, L.L, Gopal, B.
登録日2011-05-18
公開日2011-11-02
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Conformational basis for substrate recruitment in protein tyrosine phosphatase 10D
Biochemistry, 50, 2011

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