2WCD
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![BU of 2wcd by Molmil](/molmil-images/mine/2wcd) | Crystal structure of the assembled cytolysin A pore | Descriptor: | ETHYL MERCURY ION, HEMOLYSIN E, CHROMOSOMAL | Authors: | Mueller, M, Grauschopf, U, Maier, T, Glockshuber, R, Ban, N. | Deposit date: | 2009-03-11 | Release date: | 2009-05-05 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.29 Å) | Cite: | The Structure of a Cytolytic Alpha-Helical Toxin Pore Reveals its Assembly Mechanism Nature, 459, 2009
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1HDP
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![BU of 1hdp by Molmil](/molmil-images/mine/1hdp) | SOLUTION STRUCTURE OF A POU-SPECIFIC HOMEODOMAIN: 3D-NMR STUDIES OF HUMAN B-CELL TRANSCRIPTION FACTOR OCT-2 | Descriptor: | OCT-2 POU HOMEODOMAIN | Authors: | Sivaraja, M, Botfield, M.C, Mueller, M, Jancso, A, Weiss, M.A. | Deposit date: | 1994-03-08 | Release date: | 1995-01-26 | Last modified: | 2024-05-01 | Method: | SOLUTION NMR | Cite: | Solution structure of a POU-specific homeodomain: 3D-NMR studies of human B-cell transcription factor Oct-2. Biochemistry, 33, 1994
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5G4K
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![BU of 5g4k by Molmil](/molmil-images/mine/5g4k) | Phloroglucinol reductase from Clostridium sp. apo-form | Descriptor: | OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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5G4L
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![BU of 5g4l by Molmil](/molmil-images/mine/5g4l) | Phloroglucinol reductase from Clostridium sp. with bound NADPH | Descriptor: | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, OXIDOREDUCTASE, SHORT CHAIN DEHYDROGENASE/REDUCTASE FAMILY PROTEIN | Authors: | Conradt, D, Hermann, B, Gerhardt, S, Einsle, O, Mueller, M. | Deposit date: | 2016-05-13 | Release date: | 2016-12-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Biocatalytic Properties and Structural Analysis of Phloroglucinol Reductases. Angew.Chem.Int.Ed.Engl., 55, 2016
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2XY7
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![BU of 2xy7 by Molmil](/molmil-images/mine/2xy7) | Crystal structure of a salicylic aldehyde base in the pre-insertion site of fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | 5'-D(*GP*CP*CP*TP*GP*AP*CP*TP*CP*GP)-3', 5'-D(*SAYP*CP*GP*AP*GP*TP*CP*AP*GP*GP*CP)-3', DNA POLYMERASE I, ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2XY5
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![BU of 2xy5 by Molmil](/molmil-images/mine/2xy5) | Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*SAYP*TP*CP*CP*CP*TP)-3', ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.22 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2XY6
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![BU of 2xy6 by Molmil](/molmil-images/mine/2xy6) | Crystal structure of a salicylic aldehyde basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', ... | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | Deposit date: | 2010-11-15 | Release date: | 2011-07-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair. Nature Chem., 3, 2011
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2XO7
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![BU of 2xo7 by Molmil](/molmil-images/mine/2xo7) | Crystal structure of a dA:O-allylhydroxylamine-dC basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | Descriptor: | 5'-D(*AP*GP*GP*AP*AP*TP*GP*GP*TP*CP*A)-3', 5'-D(*GP*AP*CP*CP*AP*TP*47C*CP*CP*T)-3', DNA POLYMERASE I, ... | Authors: | Muenzel, M, Lercher, L, Mueller, M, Carell, T. | Deposit date: | 2010-08-10 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Chemical Discrimination between Dc and 5Medc Via Their Hydroxylamine Adducts Nucleic Acids Res., 38, 2010
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1Z5Z
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![BU of 1z5z by Molmil](/molmil-images/mine/1z5z) | Sulfolobus solfataricus SWI2/SNF2 ATPase C-terminal domain | Descriptor: | Helicase of the snf2/rad54 family | Authors: | Duerr, H, Koerner, C, Mueller, M, Hickmann, V, Hopfner, K.P. | Deposit date: | 2005-03-21 | Release date: | 2005-05-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-ray structures of the Sulfolobus solfataricus SWI2/SNF2 ATPase core and its complex with DNA Cell(Cambridge,Mass.), 121, 2005
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2AG1
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![BU of 2ag1 by Molmil](/molmil-images/mine/2ag1) | |
1Z6A
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![BU of 1z6a by Molmil](/molmil-images/mine/1z6a) | Sulfolobus solfataricus SWI2/SNF2 ATPase core domain | Descriptor: | Helicase of the snf2/rad54 family, MERCURY (II) ION, PHOSPHATE ION | Authors: | Duerr, H, Koerner, C, Mueller, M, Hickmann, V, Hopfner, K.P. | Deposit date: | 2005-03-22 | Release date: | 2005-05-03 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | X-ray structures of the Sulfolobus solfataricus SWI2/SNF2 ATPase core and its complex with DNA Cell(Cambridge,Mass.), 121, 2005
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2AG0
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![BU of 2ag0 by Molmil](/molmil-images/mine/2ag0) | |
5AG3
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![BU of 5ag3 by Molmil](/molmil-images/mine/5ag3) | Chorismatase mechanisms reveal fundamentally different types of reaction in a single conserved protein fold | Descriptor: | 3-(2-CARBOXYETHYL)BENZOIC ACID, DI(HYDROXYETHYL)ETHER, PUTATIVE PTERIDINE-DEPENDENT DIOXYGENASE, ... | Authors: | Hubrich, F, Juneja, P, Mueller, M, Diederichs, K, Welte, W, Andexer, J.N. | Deposit date: | 2015-01-28 | Release date: | 2015-08-19 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.898 Å) | Cite: | Chorismatase Mechanisms Reveal Fundamentally Different Types of Reaction in a Single Conserved Protein Fold. J.Am.Chem.Soc., 137, 2015
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5AHK
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![BU of 5ahk by Molmil](/molmil-images/mine/5ahk) | Crystal structure of acetohydroxy acid synthase Pf5 from Pseudomonas protegens | Descriptor: | ACETOLACTATE SYNTHASE II, LARGE SUBUNIT, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Dobritzsch, D, Loschonsky, S, Mueller, M, Schneider, G. | Deposit date: | 2015-02-06 | Release date: | 2016-03-02 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | The Crystal Structure of the Acetohydroxy Acid Synthase Pf5 from Pseudomonas Protegens To be Published
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7NKG
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![BU of 7nkg by Molmil](/molmil-images/mine/7nkg) | |
4WK1
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![BU of 4wk1 by Molmil](/molmil-images/mine/4wk1) | Crystal structure of Staphylococcus aureus PstA in complex with c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, CALCIUM ION, PstA | Authors: | Mueller, M, Hopfner, K.-P, Witte, G. | Deposit date: | 2014-10-01 | Release date: | 2014-11-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | c-di-AMP recognition by Staphylococcus aureus PstA. Febs Lett., 589, 2015
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4WK3
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![BU of 4wk3 by Molmil](/molmil-images/mine/4wk3) | |
4YVZ
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![BU of 4yvz by Molmil](/molmil-images/mine/4yvz) | Structure of Thermotoga maritima DisA in complex with 3'-dATP/Mn2+ | Descriptor: | 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, DNA integrity scanning protein DisA, MANGANESE (II) ION | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.495 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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4YXJ
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![BU of 4yxj by Molmil](/molmil-images/mine/4yxj) | Structure of Thermotoga maritima DisA in complex with ApCpp | Descriptor: | DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, DNA integrity scanning protein DisA | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-23 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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4YXM
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![BU of 4yxm by Molmil](/molmil-images/mine/4yxm) | Structure of Thermotoga maritima DisA D75N mutant with reaction product c-di-AMP | Descriptor: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, (4S)-2-METHYL-2,4-PENTANEDIOL, DNA integrity scanning protein DisA | Authors: | Mueller, M, Deimling, T, Hopfner, K.-P, Witte, G. | Deposit date: | 2015-03-23 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural analysis of the diadenylate cyclase reaction of DNA-integrity scanning protein A (DisA) and its inhibition by 3'-dATP. Biochem.J., 469, 2015
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6XVT
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![BU of 6xvt by Molmil](/molmil-images/mine/6xvt) | ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDDL-NH2 | Descriptor: | ACY-SC1-SC2-SC3-SC4-SC5-NME, NITRATE ION, Protein enabled homolog, ... | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-22 | Release date: | 2020-03-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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4UQG
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![BU of 4uqg by Molmil](/molmil-images/mine/4uqg) | A new bio-isosteric base pair based on reversible bonding | Descriptor: | 5'-D(*AP*GP*GP*GP*A SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*C T0TP*TP*CP*CP*CP*TP)-3', DNA POLYMERASE, ... | Authors: | Tomas-Gamasa, M, Serdjukov, S, Su, M, Mueller, M, Carell, T. | Deposit date: | 2014-06-23 | Release date: | 2014-12-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | "Post-it" type connected DNA created with a reversible covalent cross-link. Angew. Chem. Int. Ed. Engl., 54, 2015
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6XXR
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![BU of 6xxr by Molmil](/molmil-images/mine/6xxr) | ENAH EVH1 in complex with Ac-[2-Cl-F]-PPPPTEDEA-NH2 | Descriptor: | Ac-[2-Cl-F]-PPPPTEDEA-NH2, NITRATE ION, Protein enabled homolog | Authors: | Barone, M, Le Cong, K, Roske, Y. | Deposit date: | 2020-01-28 | Release date: | 2020-11-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Designed nanomolar small-molecule inhibitors of Ena/VASP EVH1 interaction impair invasion and extravasation of breast cancer cells. Proc.Natl.Acad.Sci.USA, 117, 2020
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1AHD
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![BU of 1ahd by Molmil](/molmil-images/mine/1ahd) | DETERMINATION OF THE NMR SOLUTION STRUCTURE OF AN ANTENNAPEDIA HOMEODOMAIN-DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*TP*CP*TP*AP*AP*TP*GP*GP*CP*TP*TP*TP*C)-3'), DNA (5'-D(*GP*AP*AP*AP*GP*CP*CP*AP*TP*TP*AP*GP*AP*G)-3'), Homeotic protein antennapedia | Authors: | Billeter, M, Qian, Y.Q, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K. | Deposit date: | 1993-04-02 | Release date: | 1993-10-31 | Last modified: | 2024-04-10 | Method: | SOLUTION NMR | Cite: | Determination of the nuclear magnetic resonance solution structure of an Antennapedia homeodomain-DNA complex. J.Mol.Biol., 234, 1993
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9EZJ
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![BU of 9ezj by Molmil](/molmil-images/mine/9ezj) | Apo human TDO in complex with a bound inhibitor (Cpd-4) | Descriptor: | Tryptophan 2,3-dioxygenase, alpha-methyl-L-tryptophan, ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate | Authors: | Wicki, M, Mac Sweeney, A. | Deposit date: | 2024-04-12 | Release date: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.612 Å) | Cite: | Discovery and binding mode of small molecule inhibitors of the apo form of human TDO2 To Be Published
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