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3ZKS
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BU of 3zks by Molmil
BACE2 XAPERONE COMPLEX WITH INHIBITOR
分子名称: 5-(2,2,2-Trifluoro-ethoxy)-pyridine-2-carboxylic acid [3-((S)-2-amino-1,4-dimethyl-6-oxo-1,4,5,6-tetrahydro-pyrimidin-4-yl)-phenyl]-amide, BETA-SECRETASE 2, XA4813
著者Banner, D.W, Kuglstatter, A, Benz, J, Stihle, M, Ruf, A.
登録日2013-01-24
公開日2013-05-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
3G9C
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BU of 3g9c by Molmil
Crystal structure of the product Bacillus anthracis glmS ribozyme
分子名称: 2-amino-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, GLMS RIBOZYME, MAGNESIUM ION, ...
著者Strobel, S.A, Cochrane, J.C, Lipchock, S.V, Smith, K.D.
登録日2009-02-13
公開日2009-11-03
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structural and chemical basis for glucosamine 6-phosphate binding and activation of the glmS ribozyme
Biochemistry, 48, 2009
3TGY
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BU of 3tgy by Molmil
Crystal structure of the complex of Bovine Lactoperoxidase with Ascorbic acid at 2.35 A resolution
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Yamini, S, Singh, R.P, Singh, A.K, Pandey, N, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2011-08-18
公開日2011-09-21
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Structure of bovine lactoperoxidase with a partially linked heme moiety at 1.98 angstrom resolution.
Biochim.Biophys.Acta, 1865, 2017
6NQ8
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BU of 6nq8 by Molmil
Crystal structure of YetJ mutant from Bacillus Subtilis - D171E
分子名称: Uncharacterized protein YetJ
著者Guo, G, Chang, Y, Liu, Q.
登録日2019-01-19
公開日2019-04-17
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Ion and pH Sensitivity of a TMBIM Ca2+Channel.
Structure, 27, 2019
6NBH
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BU of 6nbh by Molmil
Cryo-EM structure of parathyroid hormone receptor type 1 in complex with a long-acting parathyroid hormone analog and G protein
分子名称: CHOLESTEROL, Gs protein alpha subunit, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者Zhao, L.-H, Ma, S, Sutkeviciute, I, Shen, D.-D, Zhou, X.E, de Waal, P.P, Li, C.-Y, Kang, Y, Clark, L.J, Jean-Alphonse, F.G, White, A.D, Xiao, K, Yang, D, Jiang, Y, Watanabe, T, Gardella, T.J, Melcher, K, Wang, M.-W, Vilardaga, J.-P, Xu, H.E, Zhang, Y.
登録日2018-12-07
公開日2019-04-17
最終更新日2024-10-16
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structure and dynamics of the active human parathyroid hormone receptor-1.
Science, 364, 2019
4HX4
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BU of 4hx4 by Molmil
Structure of MNTR mutant E11K complexed with Mn2+
分子名称: MANGANESE (II) ION, TRANSCRIPTIONAL REGULATOR MNTR
著者Glasfeld, A, McGuire, A.
登録日2012-11-09
公開日2012-11-21
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Roles of the A and C Sites in the Manganese-Specific Activation of MntR.
Biochemistry, 52, 2013
6AUM
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BU of 6aum by Molmil
Crystal structure of human soluble epoxide hydrolase complexed with trans-4-[4-(3-trifluoromethoxyphenyl-l-ureido)-cyclohexyloxy]-benzoic acid.
分子名称: 4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzoic acid, Bifunctional epoxide hydrolase 2, CHLORIDE ION, ...
著者Kodani, S.D, Bahkta, S, Hwang, S.H, Pakhomova, S, Newcomer, M.E, Morisseau, C, Hammock, B.
登録日2017-09-01
公開日2018-02-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Identification and optimization of soluble epoxide hydrolase inhibitors with dual potency towards fatty acid amide hydrolase.
Bioorg. Med. Chem. Lett., 28, 2018
3GDN
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BU of 3gdn by Molmil
Almond hydroxynitrile lyase in complex with benzaldehyde
分子名称: (2R)-hydroxy(phenyl)ethanenitrile, 2-acetamido-2-deoxy-beta-D-glucopyranose, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Dreveny, I, Gruber, K, Kratky, C.
登録日2009-02-24
公開日2009-03-24
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Substrate binding in the FAD-dependent hydroxynitrile lyase from almond provides insight into the mechanism of cyanohydrin formation and explains the absence of dehydrogenation activity.
Biochemistry, 48, 2009
4HZI
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BU of 4hzi by Molmil
Crystal structure of the Leptospira interrogans ATPase subunit of an orphan ABC transporter
分子名称: ABC transporter ATP-binding protein, SULFATE ION
著者Saul, F.A, Haouz, A, Picardeau, M.
登録日2012-11-15
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and Functional Characterization of an Orphan ATP-Binding Cassette ATPase Involved in Manganese Utilization and Tolerance in Leptospira spp.
J.Bacteriol., 195, 2013
3P44
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BU of 3p44 by Molmil
Human carbonic anhydrase II in complex with p-(4-ruthenocenyl-1H-1,2,3-triazol-1-yl)benzenesulfonamide
分子名称: Carbonic anhydrase 2, GLYCEROL, ZINC ION, ...
著者Salmon, A.J.
登録日2010-10-06
公開日2011-10-12
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Protein crystal structures with ferrocene and ruthenocene-based enzyme inhibitors.
Chem.Commun.(Camb.), 48, 2012
5D4C
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BU of 5d4c by Molmil
Crystal structure of Thermus thermophilus product complex for transcription initiation with ATP and CTP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CYTIDINE-5'-MONOPHOSPHATE, CYTIDINE-5'-TRIPHOSPHATE, ...
著者Zhang, Y, Ebright, R.H.
登録日2015-08-07
公開日2016-07-06
最終更新日2024-07-03
実験手法X-RAY DIFFRACTION (3.28 Å)
主引用文献The mechanism of RNA 5' capping with NAD(+), NADH and desphospho-CoA.
Nature, 535, 2016
2FFK
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BU of 2ffk by Molmil
Solution structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta, minimized average structure
分子名称: Small inducible cytokine A4, rabbitpox encoded CC chemokine inhibitor
著者Zhang, L.
登録日2005-12-19
公開日2006-08-22
最終更新日2024-11-06
実験手法SOLUTION NMR
主引用文献Solution structure of the complex between poxvirus-encoded CC chemokine inhibitor vCCI and human MIP-1beta.
Proc.Natl.Acad.Sci.Usa, 103, 2006
3OYS
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BU of 3oys by Molmil
Human Carbonic Anhydrase II complexed with 2-{[4-AMINO-3-(3-HYDROXYPROP-1-YN-1-YL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]METHYL}-5-METHYL-3-(2-METHYLPHENYL)QUINAZOLIN-4(3H)-ONE
分子名称: 2-phenyl-N-(4-sulfamoylphenyl)acetamide, Carbonic anhydrase 2, DIMETHYL SULFOXIDE, ...
著者Aggarwal, M, McKenna, R.
登録日2010-09-23
公開日2011-08-10
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.538 Å)
主引用文献Anticonvulsant 4-aminobenzenesulfonamide derivatives with branched-alkylamide moieties: X-ray crystallography and inhibition studies of human carbonic anhydrase isoforms I, II, VII, and XIV.
J.Med.Chem., 54, 2011
3OZJ
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BU of 3ozj by Molmil
Crystal structure of human retinoic X receptor alpha complexed with bigelovin and coactivator SRC-1
分子名称: (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate, Retinoic acid receptor RXR-alpha, SRC-1, ...
著者Zhang, H, Li, L, Chen, L, Hu, L, Shen, X.
登録日2010-09-25
公開日2011-02-02
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structure basis of bigelovin as a selective RXR agonist with a distinct binding mode
J.Mol.Biol., 407, 2011
2X0G
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BU of 2x0g by Molmil
X-RAY STRUCTURE OF A DAP-KINASE CALMODULIN COMPLEX
分子名称: CALCIUM ION, CALMODULIN, DEATH-ASSOCIATED PROTEIN KINASE 1, ...
著者Kuper, J, De Diego, I, Lehmann, F, Wilmanns, M.
登録日2009-12-08
公開日2010-01-26
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Molecular Basis of the Death-Associated Protein Kinase-Calcium/Calmodulin Regulator Complex.
Sci.Signal, 3, 2010
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
著者Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
登録日2013-03-06
公開日2013-10-23
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
3P6C
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BU of 3p6c by Molmil
Human adipocyte lipid-binding protein FABP4 in complex with citric acid
分子名称: CITRIC ACID, Fatty acid-binding protein, adipocyte
著者Gonzalez, J.M, Pozharski, E.
登録日2010-10-11
公開日2011-04-13
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Structural analysis of ibuprofen binding to human adipocyte fatty-acid binding protein (FABP4).
Acta Crystallogr F Struct Biol Commun, 71, 2015
3GI9
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BU of 3gi9 by Molmil
Crystal Structure of ApcT Transporter Bound to 7F11 Monoclonal Fab Fragment
分子名称: 7F11 Anti-ApcT Monoclonal Fab Heavy Chain, 7F11 Anti-ApcT Monoclonal Fab Light Chain, Uncharacterized protein MJ0609
著者Shaffer, P.L, Goehring, A.S, Shankaranarayanan, A, Gouaux, E, New York Consortium on Membrane Protein Structure (NYCOMPS)
登録日2009-03-05
公開日2009-08-18
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure and mechanism of a na+-independent amino Acid transporter.
Science, 325, 2009
3P0M
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BU of 3p0m by Molmil
Human cAMP-dependent protein kinase in complex with an inhibitor
分子名称: (2R)-4-amino-N'-[(1E)-(3-bromo-4-hydroxyphenyl)methylidene]-2-phenylbutanehydrazide, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha
著者Koester, H, Heine, A, Klebe, G.
登録日2010-09-29
公開日2011-09-28
最終更新日2024-11-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Fragment based drug design on PKA
To be Published
2X3J
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BU of 2x3j by Molmil
CO-COMPLEX STRUCTURE OF ACHROMOBACTIN SYNTHETASE PROTEIN D (ACSD) WITH ATP AND N-CITRYL-ETHYLENEDIAMINE FROM PECTOBACTERIUM CHRYSANTHEMI
分子名称: (2S)-2-{2-[(2-AMINOETHYL)AMINO]-2-OXOETHYL}-2-HYDROXYBUTANEDIOIC ACID, ACSD, ADENOSINE-5'-TRIPHOSPHATE, ...
著者Schmelz, S, Challis, G.L, Naismith, J.H.
登録日2010-01-25
公開日2011-01-19
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural Basis for Acyl Acceptor Specificity in the Achromobactin Biosynthetic Enzyme Acsd.
J.Mol.Biol., 412, 2011
2EXN
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BU of 2exn by Molmil
Solution structure for the protein coded by gene locus BB0938 of Bordetella bronchiseptica. Northeast Structural Genomics target BoR11.
分子名称: Hypothetical protein BoR11
著者Rossi, P, Ramelot, T, Xiao, R, Ho, C.K, Ma, L.-C, Acton, T.B, Kennedy, M.A, Montelione, G.T, Northeast Structural Genomics Consortium (NESG)
登録日2005-11-08
公開日2005-11-15
最終更新日2024-05-01
実験手法SOLUTION NMR
主引用文献(1)H, (13)C, and (15)N Resonance Assignments for the Protein Coded by Gene Locus BB0938 of Bordetella bronchiseptica
J.Biomol.NMR, 33, 2005
3ZLP
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BU of 3zlp by Molmil
Crystal structure of Schistosoma mansoni Peroxiredoxin 1 C48P mutant form with four decamers in the asymmetric unit
分子名称: THIOREDOXIN PEROXIDASE
著者Saccoccia, F, Angelucci, F, Ardini, M, Boumis, G, Brunori, M, DiLeandro, L, Ippoliti, R, Miele, A.E, Natoli, G, Scotti, S, Bellelli, A.
登録日2013-02-04
公開日2013-09-11
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.515 Å)
主引用文献Switching between the Alternative Structures and Functions of a 2-Cys Peroxiredoxin, by Site-Directed Mutagenesis
J.Mol.Biol., 425, 2013
1HUM
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BU of 1hum by Molmil
SOLUTION STRUCTURE OF THE CHEMOKINE HMIP-1BETA(SLASH)ACT-2 BY MULTI-DIMENSIONAL NMR: A NOVEL CHEMOKINE DIMER
分子名称: HUMAN MACROPHAGE INFLAMMATORY PROTEIN 1 BETA
著者Clore, G.M, Lodi, P.J, Garrett, D.S, Gronenborn, A.M.
登録日1994-01-31
公開日1994-04-30
最終更新日2024-10-23
実験手法SOLUTION NMR
主引用文献High-resolution solution structure of the beta chemokine hMIP-1 beta by multidimensional NMR.
Science, 263, 1994
6NIY
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BU of 6niy by Molmil
A high-resolution cryo-electron microscopy structure of a calcitonin receptor-heterotrimeric Gs protein complex
分子名称: Calcitonin, Calcitonin receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
著者dal Maso, E, Glukhova, A, Zhu, Y, Garcia-Nafria, J, Tate, C.G, Atanasio, S, Reynolds, C.A, Ramirez-Aportela, E, Carazo, J.-M, Hick, C.A, Furness, S.G.B, Hay, D.L, Liang, Y.-L, Miller, L.J, Christopoulos, A, Wang, M.-W, Wootten, D, Sexton, P.M.
登録日2019-01-02
公開日2019-01-23
最終更新日2024-10-09
実験手法ELECTRON MICROSCOPY (3.34 Å)
主引用文献The Molecular Control of Calcitonin Receptor Signaling.
Acs Pharmacol Transl Sci, 2, 2019
6NCF
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BU of 6ncf by Molmil
The structure of Stable-5-Lipoxygenase bound to AKBA
分子名称: (3alpha,8alpha,17alpha,18alpha)-3-(acetyloxy)-11-oxours-12-en-23-oic acid, Arachidonate 5-lipoxygenase, FE (II) ION
著者Newcomer, M.E, Gilbert, N.C, Neau, D.B.
登録日2018-12-11
公開日2020-05-13
最終更新日2020-07-08
実験手法X-RAY DIFFRACTION (2.871 Å)
主引用文献Structural and mechanistic insights into 5-lipoxygenase inhibition by natural products.
Nat.Chem.Biol., 16, 2020

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