1D46
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![BU of 1d46 by Molmil](/molmil-images/mine/1d46) | DNA DODECAMER C-G-C-G-A-A-T-T-C-G-C-G/HOECHST 33258 COMPLEX:-100 DEGREES C, PIPERAZINE DOWN | Descriptor: | 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 | Authors: | Quintana, J.R, Lipanov, A.A, Dickerson, R.E. | Deposit date: | 1991-06-04 | Release date: | 1992-04-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | 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
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3T6N
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3ROL
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![BU of 3rol by Molmil](/molmil-images/mine/3rol) | Murine class I major histocompatibility complex H-2Kb in complex with post-translationally modified LCMV-derived gp34-41 peptide, comprising a nitrotyrosine at position 3 | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-2-microglobulin, GLYCEROL, ... | Authors: | Madhurantakam, C, Duru, A.D, Leong, C, Sandalova, T, Webb, J.R, Achour, A. | Deposit date: | 2011-04-26 | Release date: | 2012-04-04 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nitro-tyrosination of the immunodominant LCMV epitope gp34-41 alters both its capacity to stabilize H-2Kb and the molecular surface of the MHC complex, affecting TCR recognition PLoS ONE, 2012
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3R2D
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1CBI
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![BU of 1cbi by Molmil](/molmil-images/mine/1cbi) | APO-CELLULAR RETINOIC ACID BINDING PROTEIN I | Descriptor: | CELLULAR RETINOIC ACID BINDING PROTEIN I | Authors: | Thompson, J.R, Bratt, J.M, Banaszak, L.J. | Deposit date: | 1995-07-12 | Release date: | 1995-11-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Crystal structure of cellular retinoic acid binding protein I shows increased access to the binding cavity due to formation of an intermolecular beta-sheet. J.Mol.Biol., 252, 1995
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3RPX
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![BU of 3rpx by Molmil](/molmil-images/mine/3rpx) | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP | Descriptor: | Complement component 1 Q subcomponent-binding protein, UNKNOWN ATOM OR ION | Authors: | Tempel, W, Tong, Y, Crombet, L, Shen, Y, Guan, X, Nedyalkova, L, Walker, J.R, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Park, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-04-27 | Release date: | 2011-05-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Crystal structure of complement component 1, q subcomponent binding protein, C1QBP to be published
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1BLQ
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![BU of 1blq by Molmil](/molmil-images/mine/1blq) | STRUCTURE AND INTERACTION SITE OF THE REGULATORY DOMAIN OF TROPONIN-C WHEN COMPLEXED WITH THE 96-148 REGION OF TROPONIN-I, NMR, 29 STRUCTURES | Descriptor: | N-TROPONIN C | Authors: | Mckay, R.T, Pearlstone, J.R, Corson, D.C, Gagne, S.M, Smillie, L.B, Sykes, B.D. | Deposit date: | 1998-07-19 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Structure and interaction site of the regulatory domain of troponin-C when complexed with the 96-148 region of troponin-I. Biochemistry, 37, 1998
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3TXI
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![BU of 3txi by Molmil](/molmil-images/mine/3txi) | HEWL co-crystallization with carboplatin in DMSO media with paratone as the cryoprotectant | Descriptor: | CHLORIDE ION, DIMETHYL SULFOXIDE, Lysozyme C, ... | Authors: | Tanley, S.W.M, Schreurs, A.M.M, Helliwell, J.R, Kroon-Batenburg, L.M.J. | Deposit date: | 2011-09-23 | Release date: | 2013-01-30 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Experience with exchange and archiving of raw data: comparison of data from two diffractometers and four software packages on a series of lysozyme crystals. J.Appl.Crystallogr., 46, 2013
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1BKM
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![BU of 1bkm by Molmil](/molmil-images/mine/1bkm) | COCRYSTAL STRUCTURE OF D-AMINO ACID SUBSTITUTED PHOSPHOPEPTIDE COMPLEX | Descriptor: | PP60 V-SRC TYROSINE KINASE TRANSFORMING PROTEIN, [[O-PHOSPHONO-N-ACETYL-TYROSINYL]-GLUTAMYL-3[CYCLOHEXYLMETHYL]ALANINYL]-AMINE | Authors: | Holland, D.R, Rubin, J.R. | Deposit date: | 1997-05-02 | Release date: | 1997-07-07 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure-Based Design of a Novel Series of Nonpeptide Ligands that Bind to the Pp60Src Sh2 Domain J.Am.Chem.Soc., 119, 1997
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3UA5
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1DIB
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![BU of 1dib by Molmil](/molmil-images/mine/1dib) | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY345899 | Descriptor: | 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID, METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | Deposit date: | 1999-11-29 | Release date: | 2000-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase. Biochemistry, 39, 2000
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3TVV
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1DDX
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![BU of 1ddx by Molmil](/molmil-images/mine/1ddx) | CRYSTAL STRUCTURE OF A MIXTURE OF ARACHIDONIC ACID AND PROSTAGLANDIN BOUND TO THE CYCLOOXYGENASE ACTIVE SITE OF COX-2: PROSTAGLANDIN STRUCTURE | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID, ... | Authors: | Kiefer, J.R, Pawlitz, J.L, Moreland, K.T, Stegeman, R.A, Gierse, J.K, Stevens, A.M, Goodwin, D.C, Rowlinson, S.W, Marnett, L.J, Stallings, W.C, Kurumbail, R.G. | Deposit date: | 1999-11-11 | Release date: | 2000-05-16 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural insights into the stereochemistry of the cyclooxygenase reaction. Nature, 405, 2000
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1DIG
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![BU of 1dig by Molmil](/molmil-images/mine/1dig) | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY374571 | Descriptor: | ACETATE ION, METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | Deposit date: | 1999-11-29 | Release date: | 2000-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase. Biochemistry, 39, 2000
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3RFN
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![BU of 3rfn by Molmil](/molmil-images/mine/3rfn) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | BB_1wnu_001, ZINC ION | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-06 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3RDH
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![BU of 3rdh by Molmil](/molmil-images/mine/3rdh) | X-ray induced covalent inhibition of 14-3-3 | Descriptor: | 14-3-3 protein zeta/delta, 4-[(E)-{4-formyl-5-hydroxy-6-methyl-3-[(phosphonooxy)methyl]pyridin-2-yl}diazenyl]benzoic acid, NICKEL (II) ION | Authors: | Horton, J.R, Upadhyay, A.K, Fu, H, Cheng, X. | Deposit date: | 2011-04-01 | Release date: | 2011-09-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.39 Å) | Cite: | Discovery and structural characterization of a small molecule 14-3-3 protein-protein interaction inhibitor. Proc.Natl.Acad.Sci.USA, 108, 2011
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1DIA
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![BU of 1dia by Molmil](/molmil-images/mine/1dia) | HUMAN METHYLENETETRAHYDROFOLATE DEHYDROGENASE / CYCLOHYDROLASE COMPLEXED WITH NADP AND INHIBITOR LY249543 | Descriptor: | METHYLENETETRAHYDROFOLATE DEHYDROGENASE/CYCLOHYDROLASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID | Authors: | Schmidt, A, Wu, H, MacKenzie, R.E, Chen, V.J, Bewly, J.R, Ray, J.E, Toth, J.E, Cygler, M. | Deposit date: | 1999-11-29 | Release date: | 2000-07-05 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structures of three inhibitor complexes provide insight into the reaction mechanism of the human methylenetetrahydrofolate dehydrogenase/cyclohydrolase. Biochemistry, 39, 2000
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3RK6
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184D
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![BU of 184d by Molmil](/molmil-images/mine/184d) | SELF-ASSOCIATION OF A DNA LOOP CREATES A QUADRUPLEX: CRYSTAL STRUCTURE OF D(GCATGCT) AT 1.8 ANGSTROMS RESOLUTION | Descriptor: | DNA (5'-D(*GP*CP*AP*TP*GP*CP*T)-3'), MAGNESIUM ION | Authors: | Leonard, G.A, Zhang, S, Peterson, M.R, Harrop, S.J, Helliwell, J.R, Cruse, W.B.T, Langlois D'Estaintot, B, Kennard, O, Brown, T, Hunter, W.N. | Deposit date: | 1994-08-10 | Release date: | 1995-07-10 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Self-association of a DNA loop creates a quadruplex: crystal structure of d(GCATGCT) at 1.8 A resolution. Structure, 3, 1995
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3RAY
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![BU of 3ray by Molmil](/molmil-images/mine/3ray) | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11 | Descriptor: | CHLORIDE ION, PR domain-containing protein 11, SODIUM ION, ... | Authors: | Dong, A, Zeng, H, Loppnau, P, Walker, J.R, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Wu, H, Structural Genomics Consortium (SGC) | Deposit date: | 2011-03-28 | Release date: | 2011-04-20 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Crystal structure of Methyltransferase domain of human PR domain-containing protein 11 To be Published
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3RHU
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![BU of 3rhu by Molmil](/molmil-images/mine/3rhu) | Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins | Descriptor: | SC_1wnu | Authors: | Azoitei, M.L, Ban, Y.A, Julien, J.P, Bryson, S, Schroeter, A, Kalyuzhniy, O, Porter, J.R, Adachi, Y, Baker, D, Szabo, E, Pai, E.F, Schief, W.R. | Deposit date: | 2011-04-12 | Release date: | 2011-11-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Computational design of high-affinity epitope scaffolds by backbone grafting of a linear epitope. J.Mol.Biol., 415, 2012
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3SW9
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![BU of 3sw9 by Molmil](/molmil-images/mine/3sw9) | GLP (G9a-like protein) SET domain in complex with Dnmt3aK44me0 peptide | Descriptor: | DNA (cytosine-5)-methyltransferase 3A, Histone-lysine N-methyltransferase EHMT1, SINEFUNGIN, ... | Authors: | Chang, Y, Horton, J.R, Zhang, X, Cheng, X. | Deposit date: | 2011-07-13 | Release date: | 2011-12-07 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (3.05 Å) | Cite: | MPP8 mediates the interactions between DNA methyltransferase Dnmt3a and H3K9 methyltransferase GLP/G9a. Nat Commun, 2, 2011
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3U7A
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![BU of 3u7a by Molmil](/molmil-images/mine/3u7a) | AL-09 Y32F Y96F | Descriptor: | Amyloidogenic immunoglobulin light chain protein AL-09 Y32F Y96F, variable domain | Authors: | DiCostanzo, A.C, Thompson, J.R, Ramirez-Alvarado, M. | Deposit date: | 2011-10-13 | Release date: | 2012-07-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Tyrosine Residues mediate crucial interactions in amyloid formation for immunoglobulin light chains To be Published
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3U12
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![BU of 3u12 by Molmil](/molmil-images/mine/3u12) | The pleckstrin homology (PH) domain of USP37 | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, SULFATE ION, ... | Authors: | Dong, A, Nair, U.B, Wernimont, A, Walker, J.R, Weigelt, J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Dhe-Paganon, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-09-29 | Release date: | 2011-11-09 | Last modified: | 2012-05-02 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | The pleckstrin homology (PH) domain of USP37 To be Published
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3TIP
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![BU of 3tip by Molmil](/molmil-images/mine/3tip) | |