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5A9D
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Crystal structure of the extracellular domain of PepT1
分子名称: GLYCEROL, SOLUTE CARRIER FAMILY 15 MEMBER 1
著者Beale, J.H, Bird, L.E, Owens, R.J, Newstead, S.
登録日2015-07-20
公開日2015-09-09
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structures of the Extracellular Domain from Pept1 and Pept2 Provide Novel Insights Into Mammalian Peptide Transport
Structure, 23, 2015
3N7S
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BU of 3n7s by Molmil
Crystal structure of the ectodomain complex of the CGRP receptor, a Class-B GPCR, reveals the site of drug antagonism
分子名称: Calcitonin gene-related peptide type 1 receptor, N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3 (2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide, N~4~-(5-cyclopropyl-1H-pyrazol-3-yl)-N~2~-1H-indazol-5-yl-6-methylpyrimidine-2,4-diamine, ...
著者Ter Haar, E.
登録日2010-05-27
公開日2010-09-15
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal Structure of the Ectodomain Complex of the CGRP Receptor, a Class-B GPCR, Reveals the Site of Drug Antagonism.
Structure, 18, 2010
1NOS
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BU of 1nos by Molmil
MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114), IMIDAZOLE COMPLEX
分子名称: IMIDAZOLE, INDUCIBLE NITRIC OXIDE SYNTHASE, PROTOPORPHYRIN IX CONTAINING FE
著者Crane, B.R, Arvai, A.S, Getzoff, E.D, Stuehr, D.J, Tainer, J.A.
登録日1997-09-28
公開日1998-10-14
最終更新日2024-02-14
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Science, 278, 1997
1S6W
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BU of 1s6w by Molmil
Solution Structure of hybrid white striped bass hepcidin
分子名称: Hepcidin
著者Babon, J.J, Singh, S, Pennington, M.W, Norton, R.S, Westerman, M.E.
登録日2004-01-28
公開日2004-12-14
最終更新日2024-10-09
実験手法SOLUTION NMR
主引用文献Bass hepcidin synthesis, solution structure, antimicrobial activities and synergism, and in vivo hepatic response to bacterial infections.
J.Biol.Chem., 280, 2005
5AR2
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BU of 5ar2 by Molmil
RIP2 Kinase Catalytic Domain (1 - 310)
分子名称: CALCIUM ION, RECEPTOR-INTERACTING SERINE/THREONINE-PROTEIN KINASE 2
著者Charnley, A.K, Convery, M.A, Lakdawala Shah, A, Jones, E, Hardwicke, P, Bridges, A, Votta, B.J, Gough, P.J, Marquis, R.W, Bertin, J, Casillas, L.
登録日2015-09-23
公開日2015-10-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.44 Å)
主引用文献Crystal Structures of Human Rip2 Kinase Catalytic Domain Complexed with ATP-Competitive Inhibitors: Foundations for Understanding Inhibitor Selectivity.
Bioorg.Med.Chem., 23, 2015
2VR5
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BU of 2vr5 by Molmil
Crystal structure of Trex from Sulfolobus Solfataricus in complex with acarbose intermediate and glucose
分子名称: 4-O-(4,6-dideoxy-4-{[(1S,2S,3S,4R,5S)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranosyl)-beta-D-glucopyranose, GLYCEROL, GLYCOGEN OPERON PROTEIN GLGX, ...
著者Song, H.-N, Yoon, S.-M, Lee, S.-J, Cha, H.-J, Park, K.-H, Woo, E.-J.
登録日2008-03-26
公開日2008-07-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural Insight Into the Bifunctional Mechanism of the Glycogen-Debranching Enzyme Trex from the Archaeon Sulfolobus Solfataricus.
J.Biol.Chem., 283, 2008
1D45
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BU of 1d45 by Molmil
DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-25 DEGREES C, PIPERAZINE DOWN
分子名称: 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE, DNA (5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3'), MAGNESIUM ION
著者Quintana, J.R, Lipanov, A.A, Dickerson, R.E.
登録日1991-06-04
公開日1992-04-15
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Low-temperature crystallographic analyses of the binding of Hoechst 33258 to the double-helical DNA dodecamer C-G-C-G-A-A-T-T-C-G-C-G.
Biochemistry, 30, 1991
7K9A
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BU of 7k9a by Molmil
Crystal Structure of P. aeruginosa LpxC with N-Hydroxyformamide inhibitor
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, N-hydroxy-N-[(1R)-2-{5-[(4-{[2-(hydroxymethyl)-1H-imidazol-1-yl]methyl}phenyl)ethynyl]-1H-benzotriazol-1-yl}-1-(methylsulfanyl)ethyl]formamide, ...
著者Sacco, M, Chen, Y.
登録日2020-09-29
公開日2020-11-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献N-Hydroxyformamide LpxC inhibitors, their in vivo efficacy in a mouse Escherichia coli infection model, and their safety in a rat hemodynamic assay.
Bioorg.Med.Chem., 28, 2020
5AM8
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BU of 5am8 by Molmil
Crystal structure of the Angiotensin-1 converting enzyme N-domain in complex with amyloid-beta 4-10
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, ANGIOTENSIN-CONVERTING ENZYME, ...
著者Masuyer, G, Larmuth, K.M, Douglas, R.G, Sturrock, E.D, Acharya, K.R.
登録日2015-03-10
公開日2016-01-13
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The Kinetic and Structural Characterisation of Amyloid-Beta Metabolism by Human Angiotensin-1- Converting Enzyme (Ace)
FEBS J., 283, 2016
2W49
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BU of 2w49 by Molmil
ISOMETRICALLY CONTRACTING INSECT ASYNCHRONOUS FLIGHT MUSCLE
分子名称: ACTIN, ALPHA SKELETAL MUSCLE, CALCIUM ION, ...
著者Wu, S, Liu, J, Reedy, M.C, Tregear, R.T, Winkler, H, Franzini-Armstrong, C, Sasaki, H, Lucaveche, C, Goldman, Y.E, Reedy, M.K, Taylor, K.A.
登録日2008-11-24
公開日2010-05-05
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (35 Å)
主引用文献Electron Tomography of Cryofixed, Isometrically Contracting Insect Flight Muscle Reveals Novel Actin-Myosin Interactions
Plos One, 5, 2010
2VZE
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BU of 2vze by Molmil
Crystal structure of human acyl-CoA synthetase medium-chain family member 2A (L64P mutation) in complex with AMP
分子名称: ACYL-COENZYME A SYNTHETASE ACSM2A, MITOCHONDRIAL, ADENOSINE MONOPHOSPHATE, ...
著者Yue, W.W, Kochan, G.T, Pilka, E.S, Bhatia, C, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Wikstrom, M, Bountra, C, Oppermann, U.
登録日2008-07-31
公開日2008-10-14
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Structural Snapshots for the Conformation- Dependent Catalysis by Human Medium-Chain Acyl- Coenzyme a Synthetase Acsm2A.
J.Mol.Biol., 388, 2009
5AOR
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BU of 5aor by Molmil
Structure of MLE RNA ADP AlF4 complex
分子名称: 5'-R(*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP)-3', ADENOSINE-5'-DIPHOSPHATE, DOSAGE COMPENSATION REGULATOR, ...
著者Prabu, J.R, Conti, E.
登録日2015-09-11
公開日2015-11-18
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Structure of the RNA Helicase Mle Reveals the Molecular Mechanisms for Uridine Specificity and RNA-ATP Coupling.
Mol.Cell, 60, 2015
5DN1
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BU of 5dn1 by Molmil
Crystal structure of Phosphoribosyl isomerase A from Streptomyces coelicolor
分子名称: AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, GLYCEROL, Phosphoribosyl isomerase A, ...
著者Chang, C, Verduzco-Castro, E.A, Endres, M, Barona-Gomez, F, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
登録日2015-09-09
公開日2015-09-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.953 Å)
主引用文献Co-occurrence of analogous enzymes determines evolution of a novel ( beta alpha )8-isomerase sub-family after non-conserved mutations in flexible loop.
Biochem. J., 473, 2016
4BVU
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BU of 4bvu by Molmil
Structure of Shigella effector OspG in complex with host UbcH5c- Ubiquitin conjugate
分子名称: PROTEIN KINASE OSPG, UBIQUITIN, UBIQUITIN-CONJUGATING ENZYME E2 D3
著者Pruneda, J.N, LeTrong, I, Stenkamp, R.E, Klevit, R.E, Brzovic, P.S.
登録日2013-06-28
公開日2014-01-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献E2~Ub Conjugates Regulate the Kinase Activity of Shigella Effector Ospg During Pathogenesis.
Embo J., 33, 2014
5AQX
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BU of 5aqx by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.12 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
6HPW
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BU of 6hpw by Molmil
Crystal structure of ENL (MLLT1) in complex with compound 20
分子名称: 1,2-ETHANEDIOL, 3-iodanyl-4-methyl-~{N}-[2-(piperidin-1-ylmethyl)-3~{H}-benzimidazol-5-yl]benzamide, Protein ENL
著者Heidenreich, D, Chaikuad, A, Moustakim, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-09-22
公開日2018-11-28
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-Based Approach toward Identification of Inhibitory Fragments for Eleven-Nineteen-Leukemia Protein (ENL).
J.Med.Chem., 61, 2018
7KAP
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BU of 7kap by Molmil
Cryo-EM structure of the Sec complex from S. cerevisiae, Sec61 pore mutant, class with Sec62, conformation 1 (C1)
分子名称: Protein translocation protein SEC63, Protein transport protein SBH1, Protein transport protein SEC61, ...
著者Itskanov, S, Park, E.
登録日2020-10-01
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (4.1 Å)
主引用文献Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62.
Nat.Struct.Mol.Biol., 28, 2021
3MVI
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BU of 3mvi by Molmil
Crystal structure of holo mADA at 1.6 A resolution
分子名称: Adenosine deaminase, GLYCEROL, ZINC ION
著者Niu, W, Shu, Q, Chen, Z, Mathews, S, Di Cera, E, Frieden, C.
登録日2010-05-04
公開日2010-11-03
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献The role of Zn2+ on the structure and stability of murine adenosine deaminase.
J.Phys.Chem.B, 114, 2010
5AQL
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BU of 5aql by Molmil
Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1, GLYCEROL, ...
著者Jones, A.M, Westwood, I.M, Osborne, J.D, Matthews, T.P, Cheeseman, M.D, Rowlands, M.G, Jeganathan, F, Burke, R, Lee, D, Kadi, N, Liu, M, Richards, M, McAndrew, C, Yahya, N, Dobson, S.E, Jones, K, Workman, P, Collins, I, van Montfort, R.L.M.
登録日2015-09-22
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献A fragment-based approach applied to a highly flexible target: Insights and challenges towards the inhibition of HSP70 isoforms.
Sci Rep, 6, 2016
5AOH
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Crystal Structure of CarF
分子名称: POTASSIUM ION, Spore coat protein CotH
著者Tichy, E.M, Hardwick, S.W, Luisi, B.F, C Salmond, G.P.
登録日2015-09-10
公開日2017-01-25
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献1.8 angstrom resolution crystal structure of the carbapenem intrinsic resistance protein CarF.
Acta Crystallogr D Struct Biol, 73, 2017
3FAL
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BU of 3fal by Molmil
humanRXR alpha & mouse LXR alpha complexed with Retenoic acid and GSK2186
分子名称: 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol, Oxysterols receptor LXR-alpha, RETINOIC ACID, ...
著者Chao, E.Y, Caravella, J.A, Watson, M.A, Campobasso, N, Ghisletti, S, Billin, A.N, Galardi, C, Willson, T.M, Zuercher, W.J, Collins, J.L.
登録日2008-11-17
公開日2009-04-14
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structure-guided design of N-phenyl tertiary amines as transrepression-selective liver X receptor modulators with anti-inflammatory activity.
J.Med.Chem., 51, 2008
7KB5
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BU of 7kb5 by Molmil
Cryo-EM structure of the Sec complex from yeast, Sec63 FN3 and residues 210-216 mutated
分子名称: Protein translocation protein SEC63, Protein transport protein SBH1, Protein transport protein SEC61, ...
著者Itskanov, S, Park, E.
登録日2020-10-01
公開日2021-01-06
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Stepwise gating of the Sec61 protein-conducting channel by Sec63 and Sec62.
Nat.Struct.Mol.Biol., 28, 2021
3UPZ
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BU of 3upz by Molmil
Calcium-Dependent Protein Kinase 1 from Toxoplasma gondii (TgCDPK1) in complex with bumpless BKI analog UW1243
分子名称: 1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-domain protein kinase 1
著者Merritt, E.A, Larson, E.T.
登録日2011-11-18
公開日2012-03-14
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Multiple Determinants for Selective Inhibition of Apicomplexan Calcium-Dependent Protein Kinase CDPK1.
J.Med.Chem., 55, 2012
3MWA
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BU of 3mwa by Molmil
Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase covalently modified by 2-prime-fluoro-6-iodo-UMP
分子名称: 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate), DI(HYDROXYETHYL)ETHER, Orotidine 5'-phosphate decarboxylase, ...
著者Liu, Y, Kotra, L.P, Pai, E.F.
登録日2010-05-05
公開日2011-04-06
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Crystal structure of Plasmodium falciparum orotidine 5'-monophosphate decarboxylase covalently modified by 2-prime-fluoro-6-iodo-UMP
To be Published
4C5D
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BU of 4c5d by Molmil
Crystal structure of Bcl-xL in complex with benzoylurea compound (42)
分子名称: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID, 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 1, ...
著者Roy, M.J, Brady, R.M, Lessene, G, Colman, P.M, Czabotar, P.E.
登録日2013-09-11
公開日2014-02-05
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献De-Novo Designed Library of Benzoylureas as Inhibitors of Bcl-Xl: Synthesis, Structural and Biochemical Characterization.
J.Med.Chem., 57, 2014

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