4AZE
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![BU of 4aze by Molmil](/molmil-images/mine/4aze) | Human DYRK1A in complex with Leucettine L41 | Descriptor: | 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DUAL SPECIFICITY TYROSINE-PHOSPHORYLATION-REGULATED KINASE 1A | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4AZF
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![BU of 4azf by Molmil](/molmil-images/mine/4azf) | Human DYRK2 in complex with Leucettine L41 | Descriptor: | 1,2-ETHANEDIOL, 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one, DYRK2 DUAL-SPECIFICITY TYROSINE-PHOSPHORYLATION REGULATED KINASE 2, ... | Authors: | Elkins, J.M, Soundararajan, M, Muniz, J.R.C, Tahtouh, T, Burgy, G, Durieu, E, Lozach, O, Cochet, C, Schmid, R.S, Lo, D.C, Delhommel, F, Carreaux, F, Bazureau, J.P, Meijer, L, Edwards, A, Bountra, C, Knapp, S. | Deposit date: | 2012-06-25 | Release date: | 2012-09-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Selectivity, Co-Crystal Structures and Neuroprotective Properties of Leucettines, a Family of Protein Kinase Inhibitors Derived from the Marine Sponge Alkaloid Leucettamine B. J.Med.Chem., 55, 2012
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4CMW
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![BU of 4cmw by Molmil](/molmil-images/mine/4cmw) | Crystal structure of Rv3378c | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, DI(HYDROXYETHYL)ETHER, ... | Authors: | Layre, E, Lee, H.J, Young, D.C, Martinot, A.J, Buter, J, Minnaard, A.J, Annand, J.W, Fortune, S.M, Snider, B.B, Matsunaga, I, Rubin, E.J, Alber, T, Moody, D.B. | Deposit date: | 2014-01-18 | Release date: | 2014-02-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.209 Å) | Cite: | Molecular Profiling of Mycobacterium Tuberculosis Identifies Tuberculosinyl Nucleoside Products of the Virulence-Associated Enzyme Rv3378C. Proc.Natl.Acad.Sci.USA, 111, 2014
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4F6N
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![BU of 4f6n by Molmil](/molmil-images/mine/4f6n) | Crystal structure of Kaiso zinc finger DNA binding protein in complex with methylated CpG site DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*AP*TP*AP*GP*AP*(5CM)P*GP*(5CM)P*GP*GP*TP*GP*AP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*TP*CP*AP*CP*(5CM)P*GP*(5CM)P*GP*TP*CP*TP*AP*TP*AP*CP*G)-3'), GLYCEROL, ... | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E. | Deposit date: | 2012-05-15 | Release date: | 2012-09-05 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso. Proc.Natl.Acad.Sci.USA, 109, 2012
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4F6M
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![BU of 4f6m by Molmil](/molmil-images/mine/4f6m) | Crystal structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding site DNA | Descriptor: | DNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3'), DNA (5'-D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3'), Transcriptional regulator Kaiso, ... | Authors: | Buck-Koehntop, B.A, Stanfield, R.L, Ekiert, D.C, Martinez-Yamout, M.A, Dyson, H.J, Wilson, I.A, Wright, P.E. | Deposit date: | 2012-05-15 | Release date: | 2012-09-05 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Molecular basis for recognition of methylated and specific DNA sequences by the zinc finger protein Kaiso. Proc.Natl.Acad.Sci.USA, 109, 2012
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2IYB
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![BU of 2iyb by Molmil](/molmil-images/mine/2iyb) | |
2J16
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![BU of 2j16 by Molmil](/molmil-images/mine/2j16) | Apo & Sulphate bound forms of SDP-1 | Descriptor: | MAGNESIUM ION, SULFATE ION, TYROSINE-PROTEIN PHOSPHATASE YIL113W | Authors: | Briggs, D.C, McDonald, N.Q. | Deposit date: | 2006-08-09 | Release date: | 2007-05-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases. Nature, 447, 2007
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2J17
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![BU of 2j17 by Molmil](/molmil-images/mine/2j17) | pTyr bound form of SDP-1 | Descriptor: | MAGNESIUM ION, O-PHOSPHOTYROSINE, TYROSINE-PROTEIN PHOSPHATASE YIL113W | Authors: | Briggs, D.C, McDonald, N.Q. | Deposit date: | 2006-08-09 | Release date: | 2007-05-22 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases. Nature, 447, 2007
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1WSX
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![BU of 1wsx by Molmil](/molmil-images/mine/1wsx) | Solution structure of MCL-1 | Descriptor: | myeloid cell leukemia sequence 1 | Authors: | Day, C.L, Chen, L, Richardson, S.J, Harrison, P.J, Huang, D.C, Hinds, M.G. | Deposit date: | 2004-11-12 | Release date: | 2004-11-23 | Last modified: | 2024-05-29 | Method: | SOLUTION NMR | Cite: | Solution Structure of Prosurvival Mcl-1 and Characterization of Its Binding by Proapoptotic BH3-only Ligands J.Biol.Chem., 280, 2005
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1WOD
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![BU of 1wod by Molmil](/molmil-images/mine/1wod) | CRYSTAL STRUCTURE OF MODA, A MOLYBDATE PROTEIN, COMPLEXED WITH TUNGSTATE | Descriptor: | MODA, TUNGSTATE(VI)ION | Authors: | Hu, Y, Rech, S, Gunsalus, R.P, Rees, D.C. | Deposit date: | 1997-06-17 | Release date: | 1997-12-17 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal structure of the molybdate binding protein ModA. Nat.Struct.Biol., 4, 1997
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2SIV
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![BU of 2siv by Molmil](/molmil-images/mine/2siv) | SIV GP41 CORE STRUCTURE | Descriptor: | SIV GP41 GLYCOPROTEIN | Authors: | Malashkevich, V.N, Chan, D.C, Chutkowski, C.T, Kim, P.S. | Deposit date: | 1998-06-17 | Release date: | 1998-08-19 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Crystal structure of the simian immunodeficiency virus (SIV) gp41 core: conserved helical interactions underlie the broad inhibitory activity of gp41 peptides. Proc.Natl.Acad.Sci.USA, 95, 1998
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1XA9
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![BU of 1xa9 by Molmil](/molmil-images/mine/1xa9) | Crystal structure of yellow fluorescent protein zFP538 K66M green mutant | Descriptor: | BETA-MERCAPTOETHANOL, fluorescent protein FP538 | Authors: | Remington, S.J, Wachter, R.M, Yarbrough, D.K, Branchaud, B, Anderson, D.C, Kallio, K, Lukyanov, K.A. | Deposit date: | 2004-08-25 | Release date: | 2005-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | zFP538, a yellow-fluorescent protein from Zoanthus, contains a novel three-ring chromophore. Biochemistry, 44, 2005
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1X8C
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![BU of 1x8c by Molmil](/molmil-images/mine/1x8c) | |
1XD5
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![BU of 1xd5 by Molmil](/molmil-images/mine/1xd5) | Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata | Descriptor: | SULFATE ION, antifungal protein GAFP-1 | Authors: | Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C. | Deposit date: | 2004-09-04 | Release date: | 2005-01-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin J.Biol.Chem., 280, 2005
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1XD6
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![BU of 1xd6 by Molmil](/molmil-images/mine/1xd6) | Crystal structures of novel monomeric monocot mannose-binding lectins from Gastrodia elata | Descriptor: | SULFATE ION, gastrodianin-4 | Authors: | Liu, W, Yang, N, Wang, M, Huang, R.H, Hu, Z, Wang, D.C. | Deposit date: | 2004-09-04 | Release date: | 2005-01-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Mechanism Governing the Quaternary Organization of Monocot Mannose-binding Lectin Revealed by the Novel Monomeric Structure of an Orchid Lectin J.Biol.Chem., 280, 2005
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1X7I
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![BU of 1x7i by Molmil](/molmil-images/mine/1x7i) | Crystal structure of the native copper homeostasis protein (cutCm) with calcium binding from Shigella flexneri 2a str. 301 | Descriptor: | CALCIUM ION, Copper homeostasis protein cutC | Authors: | Zhu, D.Y, Zhu, Y.Q, Huang, R.H, Xiang, Y, Wang, D.C. | Deposit date: | 2004-08-14 | Release date: | 2005-03-01 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal structure of the copper homeostasis protein (CutCm) from Shigella flexneri at 1.7 A resolution: The first structure of a new sequence family of TIM barrels Proteins, 58, 2004
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1XK8
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![BU of 1xk8 by Molmil](/molmil-images/mine/1xk8) | Divalent cation tolerant protein CUTA from Homo sapiens O60888 | Descriptor: | Divalent cation tolerant protein CUTA, SODIUM ION | Authors: | Tempel, W, Chen, L, Liu, Z.-J, Lee, D, Shah, A, Dailey, T.A, Mayer, M.R, Arendall III, W.B, Rose, J.P, Dailey, H.A, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-27 | Release date: | 2004-10-19 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Divalent cation tolerant protein CUTA from Homo sapiens O60888 To be published
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1XE1
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![BU of 1xe1 by Molmil](/molmil-images/mine/1xe1) | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 | Descriptor: | SULFATE ION, hypothetical protein PF0907 | Authors: | Chang, J.C, Zhao, M, Zhou, W, Liu, Z.J, Tempel, W, Arendall III, W.B, Chen, L, Lee, D, Habel, J.E, Rose, J.P, Richardson, J.S, Richardson, D.C, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-08 | Release date: | 2004-09-21 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Hypothetical Protein From Pyrococcus Furiosus Pfu-880080-001 To be published
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1XHC
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![BU of 1xhc by Molmil](/molmil-images/mine/1xhc) | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NADH oxidase /nitrite reductase | Authors: | Horanyi, P, Tempel, W, Weinberg, M.V, Liu, Z.-J, Shah, A, Chen, L, Lee, D, Sugar, F.J, Brereton, P.S, Izumi, M, Poole II, F.L, Shah, C, Jenney Jr, F.E, Arendall III, W.B, Rose, J.P, Adams, M.W.W, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-09-17 | Release date: | 2004-11-23 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | NADH oxidase /nitrite reductase from Pyrococcus furiosus Pfu-1140779-001 To be published
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1ZJ6
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![BU of 1zj6 by Molmil](/molmil-images/mine/1zj6) | Crystal structure of human ARL5 | Descriptor: | ADP-ribosylation factor-like protein 5, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, SULFATE ION | Authors: | Wang, Z.X, Shi, L, Liu, J.F, An, X.M, Chang, W.R, Liang, D.C. | Deposit date: | 2005-04-28 | Release date: | 2005-06-07 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 2.0A crystal structure of human ARL5-GDP3'P, a novel member of the small GTP-binding proteins Biochem.Biophys.Res.Commun., 332, 2005
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1XRG
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![BU of 1xrg by Molmil](/molmil-images/mine/1xrg) | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 | Descriptor: | Putative translation initiation inhibitor, yjgF family, UNKNOWN ATOM OR ION | Authors: | Zhao, M, Chang, J, Habel, J, Kataeva, I, Xu, H, Chen, L, Lee, D, Nguyen, J, Chang, S.-H, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Zhang, H, Arendall III, W.B, Ljundahl, L, Liu, Z.-J, Rose, J, Richardson, J.S, Richardson, D.C, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-14 | Release date: | 2004-12-14 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Conserved hypothetical protein from Clostridium thermocellum Cth-2968 To be published
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1XAE
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![BU of 1xae by Molmil](/molmil-images/mine/1xae) | Crystal structure of wild type yellow fluorescent protein zFP538 from Zoanthus | Descriptor: | BETA-MERCAPTOETHANOL, fluorescent protein FP538 | Authors: | Remington, S.J, Wachter, R.M, Yarbrough, D.K, Branchaud, B, Anderson, D.C, Kallio, K, Lukyanov, K.A. | Deposit date: | 2004-08-25 | Release date: | 2005-02-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | zFP538, a yellow-fluorescent protein from Zoanthus, contains a novel three-ring chromophore. Biochemistry, 44, 2005
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1XMA
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![BU of 1xma by Molmil](/molmil-images/mine/1xma) | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 | Descriptor: | MERCURY (II) ION, Predicted transcriptional regulator, UNKNOWN ATOM OR ION | Authors: | Yang, H, Chen, L, Lee, D, Habel, J, Nguyen, J, Chang, S.-H, Kataeva, I, Xu, H, Chang, J, Zhao, M, Horanyi, P, Florence, Q, Zhou, W, Tempel, W, Lin, D, Praissman, J, Zhang, H, Arendall III, W.B, Richardson, J.S, Richardson, D.C, Ljungdahl, L, Liu, Z.-J, Rose, J.P, Wang, B.-C, Southeast Collaboratory for Structural Genomics (SECSG) | Deposit date: | 2004-10-01 | Release date: | 2004-12-14 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Structure of a transcriptional regulator from Clostridium thermocellum Cth-833 To be published
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2HHN
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![BU of 2hhn by Molmil](/molmil-images/mine/2hhn) | Cathepsin S in complex with non covalent arylaminoethyl amide. | Descriptor: | Cathepsin S, N-[(1R)-1-[(BENZYLSULFONYL)METHYL]-2-{[(1S)-1-METHYL-2-{[4-(TRIFLUOROMETHOXY)PHENYL]AMINO}ETHYL]AMINO}-2-OXOETHYL]MORPHOLINE-4-CARBOXAMIDE, SULFATE ION | Authors: | Spraggon, G, Hornsby, M, Lesley, S.A, Tully, D.C, Harris, J.L, Karenewsky, D.S, Kulathila, R, Clark, K. | Deposit date: | 2006-06-28 | Release date: | 2007-05-08 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers Bioorg.Med.Chem.Lett., 16, 2006
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1ZOA
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![BU of 1zoa by Molmil](/molmil-images/mine/1zoa) | Crystal Structure Of A328V Mutant Of The Heme Domain Of P450Bm-3 With N-Palmitoylglycine | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Bifunctional P-450:NADPH-P450 reductase, GLYCEROL, ... | Authors: | Hegda, A, Chen, B, Haines, D.C, Bondlela, M, Mullin, D, Graham, S.E, Tomchick, D.R, Machius, M, Peterson, J.A. | Deposit date: | 2005-05-12 | Release date: | 2006-08-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | A single active-site mutation of P450BM-3 dramatically enhances substrate binding and rate of product formation. Biochemistry, 50, 2011
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