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7KD6
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BU of 7kd6 by Molmil
Insulin Receptor L1-CR plus alphaCT fragment in co-complex with Fv 83-7 and single-chain insulin SCI-b
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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Lawrence, M.C, Menting, J.G.
登録日2020-10-08
公開日2021-10-13
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Single-chain insulin analogs threaded by the insulin receptor alpha CT domain.
Biophys.J., 2022
2M6Y
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BU of 2m6y by Molmil
The solution structure of the J-domain of human DnaJA1
分子名称: DnaJ homolog subfamily A member 1
著者Stark, J.L, Mehla, K, Chaika, N, Acton, T.B, Xiao, R, Singh, P.K, Montelione, G.T, Powers, R, Northeast Structural Genomics Consortium (NESG)
登録日2013-04-14
公開日2013-06-26
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献Structure and function of human DnaJ homologue subfamily a member 1 (DNAJA1) and its relationship to pancreatic cancer.
Biochemistry, 53, 2014
5R8M
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BU of 5r8m by Molmil
PanDDA analysis group deposition INTERLEUKIN-1 BETA -- Fragment Z1818332938 in complex with INTERLEUKIN-1 BETA
分子名称: 1-[(3~{R})-3-azanylpiperidin-1-yl]-4,4,4-tris(fluoranyl)butan-1-one, Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-03
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.39 Å)
主引用文献Mining the PDB for Tractable Cases Where X-ray Crystallography Combined with Fragment Screens Can Be Used to Systematically Design Protein-Protein Inhibitors: Two Test Cases Illustrated by IL1 beta-IL1R and p38 alpha-TAB1 Complexes.
J.Med.Chem., 63, 2020
4O6D
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BU of 4o6d by Molmil
West Nile Virus Non-structural protein 1 (NS1) Form 1 crystal
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, NS1, ...
著者Akey, D.L, Smith, J.L.
登録日2013-12-20
公開日2014-02-19
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.5936 Å)
主引用文献Flavivirus NS1 structures reveal surfaces for associations with membranes and the immune system.
Science, 343, 2014
2QMJ
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BU of 2qmj by Molmil
Crystral Structure of the N-terminal Subunit of Human Maltase-Glucoamylase in Complex with Acarbose
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, 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Sim, L, Rose, D.R.
登録日2007-07-16
公開日2008-01-08
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Human intestinal maltase-glucoamylase: crystal structure of the N-terminal catalytic subunit and basis of inhibition and substrate specificity
J.Mol.Biol., 375, 2008
2M1J
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BU of 2m1j by Molmil
Ovine Doppel Signal peptide (1-30)
分子名称: Prion-like protein doppel
著者Pimenta, J, Viegas, A, Sardinha, J, Santos, A, Cantante, C, Dias, F.M.V, Soares, R, Cabrita, E.J, Fontes, C.M.G.A, Prates, J.A.M, Pereira, R.M.L.N.
登録日2012-11-28
公開日2013-10-16
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR solution structure and SRP54M predicted interaction of the N-terminal sequence (1-30) of the ovine Doppel protein.
Peptides, 49C, 2013
1SYI
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BU of 1syi by Molmil
X-RAY STRUCTURE OF THE Y702F MUTANT OF THE GLUR2 LIGAND-BINDING CORE (S1S2J) IN COMPLEX WITH (S)-CPW399 AT 2.1 A RESOLUTION.
分子名称: (S)-2-AMINO-3-(1,3,5,7-PENTAHYDRO-2,4-DIOXO-CYCLOPENTA[E]PYRIMIDIN-1-YL) PROIONIC ACID, Glutamate receptor 2
著者Frandsen, A, Pickering, D.S, Vestergaard, B, Kasper, C, Nielsen, B.B, Greenwood, J.R, Campiani, G, Gajhede, M, Schousboe, A, Kastrup, J.S.
登録日2004-04-01
公開日2005-03-22
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Tyr702 Is an Important Determinant of Agonist Binding and Domain Closure of the Ligand-Binding Core of GluR2.
Mol.Pharmacol., 67, 2005
3QAR
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BU of 3qar by Molmil
Crystal structure of PI3K-gamma in complex with triazine-benzimidazole 32
分子名称: 1-(4-amino-6-methyl-1,3,5-triazin-2-yl)-N-(1H-pyrazol-3-yl)-1H-benzimidazol-2-amine, Phosphatidylinositol-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION
著者Whittington, D.A, Tang, J, Yakowec, P.
登録日2011-01-11
公開日2011-03-30
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Discovery of triazine-benzimidazoles as selective inhibitors of mTOR.
Bioorg.Med.Chem.Lett., 21, 2011
1GNL
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BU of 1gnl by Molmil
Hybrid Cluster Protein from Desulfovibrio desulfuricans X-ray structure at 1.25A resolution using synchrotron radiation at a wavelength of 0.933A
分子名称: ACETATE ION, HYBRID CLUSTER PROTEIN, IRON/SULFUR CLUSTER, ...
著者Macedo, S, Mitchell, E.P, Romao, C.V, Cooper, S.J, Coelho, R, Liu, M.Y, Xavier, A.V, Legall, J, Bailey, S, Garner, D.C, Hagen, W.R, Teixeira, M, Carrondo, M.A, Lindley, P.
登録日2001-10-05
公開日2002-04-11
最終更新日2025-10-01
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Hybrid Cluster Proteins (Hcps) from Desulfovibrio Desulfuricans Atcc 27774 and Desulfovibrio Vulgaris (Hildenborough): X-Ray Structures at 1.25 A Resolution Using Synchrotron Radiation.
J.Biol.Inorg.Chem., 7, 2002
2ONY
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BU of 2ony by Molmil
Structure of hPNMT with inhibitor 7-(N-4-chlorophenylaminosulfonyl)-THIQ and AdoHcy
分子名称: N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE, PHOSPHATE ION, Phenylethanolamine N-methyltransferase, ...
著者Drinkwater, N, Martin, J.L.
登録日2007-01-24
公開日2007-10-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Enzyme Adaptation to Inhibitor Binding: A Cryptic Binding Site in Phenylethanolamine N-Methyltransferase
J.Med.Chem., 50, 2007
1DBI
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BU of 1dbi by Molmil
CRYSTAL STRUCTURE OF A THERMOSTABLE SERINE PROTEASE
分子名称: AK.1 SERINE PROTEASE, CALCIUM ION, SODIUM ION
著者Smith, C.A, Toogood, H.S, Baker, H.M, Daniel, R.M, Baker, E.N.
登録日1999-11-02
公開日1999-11-18
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Calcium-mediated thermostability in the subtilisin superfamily: the crystal structure of Bacillus Ak.1 protease at 1.8 A resolution.
J.Mol.Biol., 294, 1999
3GTA
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BU of 3gta by Molmil
Structure of an ML-IAP/XIAP chimera bound to a peptidomimetic
分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Baculoviral IAP repeat-containing 7, ...
著者Franklin, M.C, Fairbrother, W.J, Cohen, F.
登録日2009-03-27
公開日2010-03-09
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Antagonists of inhibitor of apoptosis proteins based on thiazole amide isosteres.
Bioorg.Med.Chem.Lett., 20, 2010
4BQF
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BU of 4bqf by Molmil
Arabidopsis thaliana cytosolic alpha-1,4-glucan phosphorylase (PHS2) in complex with acarbose
分子名称: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranose, ALPHA-GLUCAN PHOSPHORYLASE 2, CYTOSOLIC, ...
著者O'Neill, E.C, Rashid, A.M, Stevenson, C.E.M, Hetru, A.C, Gunning, A.P, Rejzek, M, Nepogodiev, S.A, Bornemann, S, Lawson, D.M, Field, R.A.
登録日2013-05-30
公開日2014-02-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Sugar-Coated Sensor Chip and Nanoparticle Surfaces for the in Vitro Enzymatic Synthesis of Starch-Like Materials
Chem.Sci., 5, 2014
7FQI
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BU of 7fqi by Molmil
Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Legumain, ...
著者Ehler, A, Benz, J, Bartels, B, Rudolph, M.G.
登録日2022-10-05
公開日2023-10-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Crystal Structure of a human Legumain complex
To be published
7FQJ
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Crystal Structure of human Legumain in complex with (2S)-N-[(1S)-3-amino-1-cyano-3-oxopropyl]-1-[1-[4-[(2,4-difluorophenyl)methoxy]phenyl]cyclopropanecarbonyl]pyrrolidine-2-carboxamide
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Ehler, A, Benz, J, Bartels, B, Rudolph, M.G.
登録日2022-10-05
公開日2023-10-11
最終更新日2024-12-25
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of a human Legumain complex
To be published
1E30
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BU of 1e30 by Molmil
Crystal structure of the Met148Gln mutant of rusticyanin at 1.5 Angstrom resolution
分子名称: COPPER (II) ION, RUSTICYANIN
著者Hough, M.A, Strange, R.W, Hasnain, S.S.
登録日2000-06-02
公開日2000-07-28
最終更新日2025-08-13
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structure of the M148Q mutant of rusticyanin at 1.5 A: a model for the copper site of stellacyanin.
Acta Crystallogr.,Sect.D, 57, 2001
1X8T
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BU of 1x8t by Molmil
EPSPS liganded with the (R)-phosphonate analog of the tetrahedral reaction intermediate
分子名称: 3-phosphoshikimate 1-carboxyvinyltransferase, FORMIC ACID, [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
著者Priestman, M.A, Healy, M.L, Becker, A, Alberg, D.G, Bartlett, P.A, Schonbrunn, E.
登録日2004-08-18
公開日2005-04-19
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Interaction of phosphonate analogues of the tetrahedral reaction intermediate with 5-enolpyruvylshikimate-3-phosphate synthase in atomic detail.
Biochemistry, 44, 2005
1Q3R
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BU of 1q3r by Molmil
Crystal structure of the chaperonin from Thermococcus strain KS-1 (nucleotide-free form of single mutant)
分子名称: SULFATE ION, Thermosome alpha subunit
著者Shomura, Y, Yoshida, T, Iizuka, R, Maruyama, T, Yohda, M, Miki, K.
登録日2003-07-31
公開日2004-01-27
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal Structures of the Group II Chaperonin from Thermococcus strain KS-1: Steric Hindrance by the Substituted Amino Acid, and Inter-subunit Rearrangement between Two Crystal Forms.
J.Mol.Biol., 335, 2004
3QQ3
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BU of 3qq3 by Molmil
Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides
分子名称: 9-mer peptide from Neuraminidase, Beta-2-microglobulin, MHC class I antigen
著者Zhang, N, Qi, J, Gao, F, Pan, X, Chen, R, Li, Q, Chen, Z, Li, X, Xia, C, Gao, G.F.
登録日2011-02-15
公開日2011-12-28
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of swine major histocompatibility complex class I SLA-1 0401 and identification of 2009 pandemic swine-origin influenza A H1N1 virus cytotoxic T lymphocyte epitope peptides.
J.Virol., 85, 2011
1I3H
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BU of 1i3h by Molmil
CONCANAVALIN A-DIMANNOSE STRUCTURE
分子名称: CALCIUM ION, Concanavalin-A, MANGANESE (II) ION, ...
著者Sanders, D.A.R, Moothoo, D.N, Raftery, J, Howard, A.J, Helliwell, J.R, Naismith, J.H.
登録日2001-02-15
公開日2001-07-25
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献The 1.2 A resolution structure of the Con A-dimannose complex.
J.Mol.Biol., 310, 2001
4OKD
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BU of 4okd by Molmil
Crystal Structure of Chlamydomonas reinhardtii Isoamylase 1 (ISA1) in complex with maltoheptaose
分子名称: Isoamylase, alpha-D-glucopyranose, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ...
著者Sim, L, Palcic, M.
登録日2014-01-22
公開日2014-07-02
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of the Chlamydomonas Starch Debranching Enzyme Isoamylase ISA1 Reveals Insights into the Mechanism of Branch Trimming and Complex Assembly.
J.Biol.Chem., 289, 2014
3OJ8
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BU of 3oj8 by Molmil
Alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain
分子名称: (S)-[(2S)-6-phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl](5-pyridin-2-yl-1,3-oxazol-2-yl)methanol, CHLORIDE ION, Fatty-acid amide hydrolase 1
著者Mileni, M, Stevens, R.C, Boger, D.L.
登録日2010-08-20
公開日2011-07-06
最終更新日2024-11-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献alpha-Ketoheterocycle Inhibitors of Fatty Acid Amide Hydrolase Containing Additional Conformational Contraints in the Acyl Side Chain
J.Med.Chem., 54, 2011
2A9W
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BU of 2a9w by Molmil
E. coli TS complexed with dUMP and inhibitor GA9
分子名称: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 2-BROMOPHENOL, 3,3-BIS(3-BROMO-4-HYDROXYPHENYL)-7-CHLORO-1H,3H-BENZO[DE]ISOCHROMEN-1-ONE, ...
著者Finer-Moore, J.S, Anderson, A.C, O'Neil, R.H, Costi, M.P, Ferrari, S, Krucinski, J, Stroud, R.M.
登録日2005-07-12
公開日2005-10-11
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献The structure of Cryptococcus neoformans thymidylate synthase suggests strategies for using target dynamics for species-specific inhibition.
Acta Crystallogr.,Sect.D, 61, 2005
4JDC
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BU of 4jdc by Molmil
Crystal structure of the Delta-pyrroline-5-carboxylate dehydrogenase from Mycobacterium tuberculosis
分子名称: 1-pyrroline-5-carboxylate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
著者Lagautriere, T, Bashiri, G, Baker, E.N.
登録日2013-02-24
公開日2013-12-18
最終更新日2024-11-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Characterization of the proline-utilization pathway in Mycobacterium tuberculosis through structural and functional studies.
Acta Crystallogr.,Sect.D, 70, 2014
6MSU
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BU of 6msu by Molmil
Integrin alphaVBeta3 in complex with EETI-II 2.5F
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, CHLORIDE ION, ...
著者van Agthoven, J.F, Arnaout, M.A.
登録日2018-10-18
公開日2019-10-23
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (3.11 Å)
主引用文献Structural Basis of the Differential Binding of Engineered Knottins to Integrins alpha V beta 3 and alpha 5 beta 1.
Structure, 27, 2019

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