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3PWA
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BU of 3pwa by Molmil
Structure of C126A mutant of Plasmodium falciparum triosephosphate isomerase
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ...
Authors:Samanta, M, Banerjee, M, Murthy, M.R.N, Balaram, H, Balaram, P.
Deposit date:2010-12-08
Release date:2011-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Probing the role of the fully conserved Cys126 in triosephosphate isomerase by site-specific mutagenesis--distal effects on dimer stability.
Febs J., 278, 2011
3D6Q
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BU of 3d6q by Molmil
The RNase A- 5'-Deoxy-5'-N-piperidinouridine complex
Descriptor: 1-(5-deoxy-5-piperidin-1-yl-alpha-L-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione, CITRATE ANION, Ribonuclease pancreatic
Authors:Leonidas, D.D, Zographos, S.E, Oikonomakos, N.G.
Deposit date:2008-05-20
Release date:2009-02-10
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Morpholino, piperidino, and pyrrolidino derivatives of pyrimidine nucleosides as inhibitors of ribonuclease A: synthesis, biochemical, and crystallographic evaluation.
J.Med.Chem., 52, 2009
3CNX
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BU of 3cnx by Molmil
CRYSTAL STRUCTURE OF A PUTATIVE DEHYDRATASE FROM THE NTF2-LIKE FAMILY (SAV_4671) FROM STREPTOMYCES AVERMITILIS AT 2.10 A RESOLUTION
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2008-03-26
Release date:2008-04-08
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of NTF2-like protein of unknown function (NP_825848.1) from Streptomyces avermitilis at 2.10 A resolution
To be published
6MA7
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BU of 6ma7 by Molmil
Human CYP3A4 bound to an inhibitor fluconazole
Descriptor: 1,2-ETHANEDIOL, 2-(2,4-DIFLUOROPHENYL)-1,3-DI(1H-1,2,4-TRIAZOL-1-YL)PROPAN-2-OL, Cytochrome P450 3A4, ...
Authors:Sevrioukova, I.F.
Deposit date:2018-08-26
Release date:2019-01-16
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Interaction of Human Drug-Metabolizing CYP3A4 with Small Inhibitory Molecules.
Biochemistry, 58, 2019
6MAV
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BU of 6mav by Molmil
Complex of tissue inhibitor of metalloproteinase-1 (TIMP-1) mutant L34G with matrix metalloproteinase-3 catalytic domain (MMP-3cd)
Descriptor: CALCIUM ION, Metalloproteinase inhibitor 1, Stromelysin-1, ...
Authors:Raeeszadeh-Sarmazdeh, M, Radisky, E.
Deposit date:2018-08-28
Release date:2019-05-15
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Directed evolution of the metalloproteinase inhibitor TIMP-1 reveals that its N- and C-terminal domains cooperate in matrix metalloproteinase recognition.
J.Biol.Chem., 294, 2019
3WF6
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BU of 3wf6 by Molmil
Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
Descriptor: 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine, Ribosomal protein S6 kinase beta-1, ZINC ION
Authors:Niwa, H, Shirouzu, M, Yokoyama, S.
Deposit date:2013-07-17
Release date:2014-08-06
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.031 Å)
Cite:Crystal structures of the S6K1 kinase domain in complexes with inhibitors
J.Struct.Funct.Genom., 15, 2014
3QAG
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BU of 3qag by Molmil
Human Glutathione Transferase O2 with glutathione -new crystal form
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, GLUTATHIONE, ...
Authors:Zhou, H, Board, P.G, Oakley, A.J.
Deposit date:2011-01-11
Release date:2012-01-11
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insights into the dehydroascorbate reductase activity of human omega-class glutathione transferases.
J.Mol.Biol., 420, 2012
3QEQ
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BU of 3qeq by Molmil
The complex between TCR DMF4 and human Class I MHC HLA-A2 with the bound MART-1(27-35) nonameric peptide
Descriptor: Beta-2-microglobulin, DMF4 alpha chain, DMF4 beta chain, ...
Authors:Borbulevych, O.Y, Baker, B.M.
Deposit date:2011-01-20
Release date:2011-07-06
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:TCRs Used in Cancer Gene Therapy Cross-React with MART-1/Melan-A Tumor Antigens via Distinct Mechanisms.
J.Immunol., 187, 2011
1QHJ
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BU of 1qhj by Molmil
X-RAY STRUCTURE OF BACTERIORHODOPSIN GROWN IN LIPIDIC CUBIC PHASES
Descriptor: 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE, PROTEIN (BACTERIORHODOPSIN), RETINAL
Authors:Belrhali, H, Nollert, P, Royant, A, Menzel, C, Rosenbusch, J.P, Landau, E.M, Pebay-Peyroula, E.
Deposit date:1999-05-04
Release date:1999-07-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Protein, lipid and water organization in bacteriorhodopsin crystals: a molecular view of the purple membrane at 1.9 A resolution.
Structure Fold.Des., 7, 1999
3J3Y
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BU of 3j3y by Molmil
Atomic-level structure of the entire HIV-1 capsid (186 hexamers + 12 pentamers)
Descriptor: capsid protein
Authors:Perilla, J.R, Zhao, G, Zhang, P, Schulten, K.J.
Deposit date:2013-05-06
Release date:2013-05-29
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY
Cite:Mature HIV-1 capsid structure by cryo-electron microscopy and all-atom molecular dynamics.
Nature, 497, 2013
2XF5
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BU of 2xf5 by Molmil
Crystal structure of Bacillus subtilis SPP1 phage gp23.1, a putative chaperone.
Descriptor: GP23.1
Authors:Veesler, D, Blangy, S, Lichiere, J, Ortiz-Lombardia, M, Tavares, P, Campanacci, V, Cambillau, C.
Deposit date:2010-05-20
Release date:2010-08-11
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Bacillus Subtilis Spp1 Phage Gp23.1, A Putative Chaperone.
Protein Sci., 19, 2010
1H12
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BU of 1h12 by Molmil
Structure of a cold-adapted family 8 xylanase
Descriptor: ENDO-1,4-BETA-XYLANASE, alpha-D-xylopyranose, beta-D-xylopyranose
Authors:Van Petegem, F, Collins, T, Meuwis, M.A, Feller, G, Gerday, C, Van Beeumen, J.
Deposit date:2002-07-02
Release date:2003-03-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:The Structure of a Cold-Adapted Family 8 Xylanase at 1.3 A Resolution: Structural Adaptations to Cold and Investigation of the Active Site
J.Biol.Chem., 278, 2003
4BTU
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BU of 4btu by Molmil
Factor Xa in complex with the dual thrombin-FXa inhibitor 57.
Descriptor: 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ...
Authors:Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M.
Deposit date:2013-06-19
Release date:2013-12-18
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor.
J.Med.Chem., 56, 2013
2XSC
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BU of 2xsc by Molmil
Crystal structure of the cell-binding B oligomer of verotoxin-1 from E. coli
Descriptor: SHIGA-LIKE TOXIN 1 SUBUNIT B, ZINC ION
Authors:Stein, P.E, Boodhoo, A, Tyrrell, G.J, Brunton, J.L, Oeffner, R.D, Bunkoczi, G, Read, R.J.
Deposit date:2010-09-27
Release date:2010-10-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Crystal Structure of the Cell-Binding B Oligomer of Verotoxin-1 from E. Coli.
Nature, 355, 1992
7B12
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BU of 7b12 by Molmil
HUMAN IMMUNOPROTEASOME 20S PARTICLE IN COMPLEX WITH [2-(3-ethylphenyl)-1-[(2S)-3-phenyl-2-[(pyrazin-2-yl)formamido]propanamido]ethyl]boronic acid
Descriptor: ((R)-2-(3-ethylphenyl)-1-((S)-3-phenyl-2-(pyrazine-2-carboxamido)propanamido)ethyl)boronic acid, Proteasome subunit alpha type-1, Proteasome subunit alpha type-2, ...
Authors:Musil, D, Klein, M, Crosignani, S.
Deposit date:2020-11-23
Release date:2021-12-01
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:Structure-Based Optimization and Discovery of M3258, a Specific Inhibitor of the Immunoproteasome Subunit LMP7 ( beta 5i).
J.Med.Chem., 64, 2021
1HRH
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BU of 1hrh by Molmil
CRYSTAL STRUCTURE OF THE RIBONUCLEASE H DOMAIN OF HIV-1 REVERSE TRANSCRIPTASE
Descriptor: RIBONUCLEASE H
Authors:Davies /II, J.F, Matthews, D.A.
Deposit date:1991-03-06
Release date:1992-01-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of the ribonuclease H domain of HIV-1 reverse transcriptase.
Science, 252, 1991
4P36
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BU of 4p36 by Molmil
Crystal structure of DJ-1 With Zn(II) bound (crystal 2)
Descriptor: 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, Protein DJ-1, ZINC ION
Authors:Tashiro, S, Wu, C.-X, Hoang, Q.Q, Caaveiro, J.M.M, Tsumoto, K.
Deposit date:2014-03-05
Release date:2014-04-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.182 Å)
Cite:Thermodynamic and Structural Characterization of the Specific Binding of Zn(II) to Human Protein DJ-1.
Biochemistry, 53, 2014
2OR3
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BU of 2or3 by Molmil
Pre-oxidation Complex of Human DJ-1
Descriptor: Protein DJ-1, SULFATE ION
Authors:Witt, A.C, Lakshminarasimhan, M, Wilson, M.A.
Deposit date:2007-02-01
Release date:2007-02-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Cysteine pKa depression by a protonated glutamic acid in human DJ-1.
Biochemistry, 47, 2008
3W59
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BU of 3w59 by Molmil
Crystal structure of Galectin-1 in the lactose-unbound state(P212121)
Descriptor: BETA-MERCAPTOETHANOL, GLYCEROL, Galectin-1, ...
Authors:Saburi, H, Tanaka, T, Kunishima, N.
Deposit date:2013-01-26
Release date:2014-01-29
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of Galectin-1 in the lactose-unbound state
To be Published
2W6K
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BU of 2w6k by Molmil
The crystal structure at 1.7 A resolution of CobE, a protein from the cobalamin (vitamin B12) biosynthetic pathway
Descriptor: COBE, GLYCEROL, SULFATE ION
Authors:Vevodova, J, Smith, D, McGoldrick, H, Deery, E, Murzin, A.G, Warren, M.J, Wilson, K.S.
Deposit date:2008-12-18
Release date:2008-12-30
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Crystal Structure at 1.7 A Resolution of Cobe, a Protein from the Cobalamin (Vitamin B12) Biosynthetic Pathway
To be Published
4BWE
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BU of 4bwe by Molmil
Crystal structure of C-terminally truncated glypican-1 after controlled dehydration to 86 percent relative humidity
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Glypican-1
Authors:Awad, W, Svensson Birkedal, G, Thunnissen, M.M.G.M, Mani, K, Logan, D.T.
Deposit date:2013-07-01
Release date:2013-12-18
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Improvements in the order, isotropy and electron density of glypican-1 crystals by controlled dehydration.
Acta Crystallogr. D Biol. Crystallogr., 69, 2013
4KRF
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BU of 4krf by Molmil
Structure of Human Argonaute-1 let-7 complex
Descriptor: Protein argonaute-1, RNA (5'-R(P*UP*GP*AP*GP*GP*UP*AP*GP*UP*AP*GP*GP*UP*UP*GP*UP*AP*UP*AP*GP*UP*U)-3')
Authors:Faehnle, C.R, Elkayam, E, Joshua-Tor, L.
Deposit date:2013-05-16
Release date:2013-06-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:The making of a slicer: activation of human argonaute-1.
Cell Rep, 3, 2013
7EW1
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BU of 7ew1 by Molmil
Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 5 in complex with Gi protein
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Yuan, Y, Jia, G.W, Shao, Z.H, Su, Z.M.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021
7EW4
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BU of 7ew4 by Molmil
Cryo-EM structure of CYM-5541-bound Sphingosine 1-phosphate receptor 3 in complex with Gi protein
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Zhao, C, Wang, W, Wang, H.L, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2025-06-18
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural insights into sphingosine-1-phosphate recognition and ligand selectivity of S1PR3-Gi signaling complexes.
Cell Res., 32, 2022
7EVY
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BU of 7evy by Molmil
Cryo-EM structure of siponimod -bound Sphingosine-1-phosphate receptor 1 in complex with Gi protein
Descriptor: 1-[[4-[(~{E})-~{N}-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-~{C}-methyl-carbonimidoyl]-2-ethyl-phenyl]methyl]azetidine-3-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Jia, G.W, Yuan, Y, Su, Z.M, Shao, Z.H.
Deposit date:2021-05-24
Release date:2021-09-29
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Structures of signaling complexes of lipid receptors S1PR1 and S1PR5 reveal mechanisms of activation and drug recognition.
Cell Res., 31, 2021

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数据于2025-10-22公开中

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