3V1B
| Crystal structure of de novo designed MID1-apo2 | Descriptor: | Computational design, MID1-apo2, GLYCEROL | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1A
| Crystal structure of de novo designed MID1-apo1 | Descriptor: | Computational design, MID1-apo1 | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (0.98 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1E
| Crystal structure of de novo designed MID1-zinc H12E mutant | Descriptor: | Computational design, MID1-zinc H12E mutant, ZINC ION | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.073 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1C
| Crystal structure of de novo designed MID1-zinc | Descriptor: | Computational design, MID1-zinc, L(+)-TARTARIC ACID, ... | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.129 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1F
| Crystal structure of de novo designed MID1-zinc H35E mutant | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Computational design, ... | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.151 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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3V1D
| Crystal structure of de novo designed MID1-cobalt | Descriptor: | COBALT (II) ION, Computational design, MID1-cobalt, ... | Authors: | Der, B.S, Machius, M, Miley, M.J, Kuhlman, B. | Deposit date: | 2011-12-09 | Release date: | 2012-01-11 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.239 Å) | Cite: | Metal-mediated affinity and orientation specificity in a computationally designed protein homodimer. J.Am.Chem.Soc., 134, 2012
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5OAE
| Crystal Structure of tyrosinase from Bacillus megaterium with SVF inhibitor in the active site | Descriptor: | 1-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethanone, COPPER (II) ION, Tyrosinase | Authors: | Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A. | Deposit date: | 2017-06-21 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments. J. Med. Chem., 61, 2018
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5LP8
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6EI4
| Crystal Structure of tyrosinase from Bacillus megaterium with B5N inhibitor in the active site | Descriptor: | COPPER (II) ION, Tyrosinase, [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylphenyl)methanone | Authors: | Deri, B, Gitto, R, Pazy Benhar, Y, Fishman, A. | Deposit date: | 2017-09-17 | Release date: | 2018-04-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Targeting Tyrosinase: Development and Structural Insights of Novel Inhibitors Bearing Arylpiperidine and Arylpiperazine Fragments. J. Med. Chem., 61, 2018
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6EM0
| Crystal Structure of 2-hydroxybiphenyl 3-monooxygenase M321A from Pseudomonas azelaica | Descriptor: | 2-hydroxybiphenyl-3-monooxygenase, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Deri, B, Bregman-Cohen, A, Pazy Benhar, Y, Fishman, A. | Deposit date: | 2017-10-01 | Release date: | 2018-01-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Altering 2-Hydroxybiphenyl 3-Monooxygenase Regioselectivity by Protein Engineering for the Production of a New Antioxidant. Chembiochem, 19, 2018
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2VL1
| Crystal structure of beta-alanine synthase from Saccharomyces kluyveri in complex with a gly-gly peptide | Descriptor: | BETA-ALANINE SYNTHASE, GLYCINE, ZINC ION | Authors: | Andersen, B, Lundgren, S, Dobritzsch, D, Piskur, J. | Deposit date: | 2008-01-07 | Release date: | 2008-05-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | A Recruited Protease is Involved in Catabolism of Pyrimidines. J.Mol.Biol., 379, 2008
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6RG0
| Structure of pdxj | Descriptor: | Pyridoxine 5'-phosphate synthase | Authors: | Rohweder, B, Rajendran, C, Sterner, R. | Deposit date: | 2019-04-16 | Release date: | 2020-05-13 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.074 Å) | Cite: | Library Selection with a Randomized Repertoire of ( beta alpha )8-Barrel Enzymes Results in Unexpected Induction of Gene Expression. Biochemistry, 58, 2019
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1D76
| CRYSTAL AND MOLECULAR STRUCTURE OF A DNA FRAGMENT CONTAINING A 2-AMINO ADENINE MODIFICATION: THE RELATIONSHIP BETWEEN CONFORMATION, PACKING, AND HYDRATION IN Z-DNA HEXAMERS | Descriptor: | DNA (5'-D(*CP*GP*UP*(1AP)P*CP*G)-3') | Authors: | Schneider, B, Ginell, S.L, Jones, R, Gaffney, B, Berman, H.M. | Deposit date: | 1992-05-19 | Release date: | 1992-09-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystal and molecular structure of a DNA fragment containing a 2-aminoadenine modification: the relationship between conformation, packing, and hydration in Z-DNA hexamers. Biochemistry, 31, 1992
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1HHQ
| Role of active site resiude Lys16 in Nucleoside Diphosphate Kinase | Descriptor: | NUCLEOSIDE DIPHOSPHATE KINASE, SULFATE ION | Authors: | Schneider, B, Babolat, M, Xu, Y.W, Janin, J, Veron, M, Deville-Bonne, D. | Deposit date: | 2000-12-26 | Release date: | 2001-05-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Mechanism of Phosphoryl Transfer by Nucleoside Diphosphate Kinase Ph-Dependence and Role of Active Site Lys16 and Tyr56 Residues Eur.J.Biochem., 268, 2001
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1JFN
| SOLUTION STRUCTURE OF HUMAN APOLIPOPROTEIN(A) KRINGLE IV TYPE 6 | Descriptor: | APOLIPOPROTEIN A, KIV-T6 | Authors: | Maderegger, B, Bermel, W, Hrzenjak, A, Kostner, G.M, Sterk, H. | Deposit date: | 2001-06-21 | Release date: | 2002-06-28 | Last modified: | 2022-02-23 | Method: | SOLUTION NMR | Cite: | Solution structure of human apolipoprotein(a) kringle IV type 6. Biochemistry, 41, 2002
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5KAY
| Structure of Spelter bound to Zn2+ | Descriptor: | SODIUM ION, Spelter, ZINC ION | Authors: | Guffy, S.L, Der, B.S, Kuhlman, B. | Deposit date: | 2016-06-02 | Release date: | 2016-08-03 | Last modified: | 2019-11-27 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Probing the minimal determinants of zinc binding with computational protein design. Protein Eng.Des.Sel., 29, 2016
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5K7J
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2C7U
| Conflicting selective forces affect CD8 T-cell receptor contact sites in an HLA-A2 immunodominant HIV epitope. | Descriptor: | BETA-2-MICROGLOBULIN, GAG PROTEIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ... | Authors: | Iversen, A.K, Stewart-Jones, G, Learn, G.H, Christie, N, Sylvester-Hviid, C, Armitage, A.E, Kaul, R, Beattie, T, Lee, J.K, Li, Y, Chotiyarnwong, P, Dong, T, Xu, X, Luscher, M.A, MacDonald, K, Ullum, H, Klarlund-Pedersen, B, Skinhoj, P, Fugger, J.L, Buus, S, Mullins, J.I, Jones, E.Y, van der Merwe, P.A, McMichael, A.J. | Deposit date: | 2005-11-29 | Release date: | 2006-03-08 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Conflicting Selective Forces Affect T Cell Receptor Contacts in an Immunodominant Human Immunodeficiency Virus Epitope. Nat.Immunol., 7, 2006
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2LSE
| Solution NMR Structure of De Novo Designed Four Helix Bundle Protein, Northeast Structural Genomics Consortium (NESG) Target OR188 | Descriptor: | Four Helix Bundle Protein | Authors: | Sathyamoorthy, B, Pulavarti, S, Murphy, G, Mills, J.L, Eletski, A, Der, B.S, Machius, M.C, Kuhlman, B, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | Deposit date: | 2012-04-28 | Release date: | 2012-06-27 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | Solution NMR Structure of a Denovo Design Four Helix Bundle Protein, Northeast Structural Genomics Consortium Target OR188 To be Published
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6TN9
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 16 | Descriptor: | Dual specificity protein kinase TTK, [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone | Authors: | Marquardt, T, Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6TND
| X-RAY STRUCTURE OF MPS1 IN COMPLEX WITH COMPOUND 79 | Descriptor: | BAY 1217389, Dual specificity protein kinase TTK | Authors: | Holton, S.J, Schulze, V.K, Klar, U, Kosemund, D, Siemeister, G, Bader, B, Prechtl, S, Briem, H, Marquardt, T, Schirok, H, Bohlmann, R, Nguyen, D, Fernandez-Montalvan, A, Boemer, U, Eberspaecher, U, Brands, M, Nussbaum, F, Koppitz, M. | Deposit date: | 2019-12-06 | Release date: | 2020-05-13 | Last modified: | 2020-08-26 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | Treating Cancer by Spindle Assembly Checkpoint Abrogation: Discovery of Two Clinical Candidates, BAY 1161909 and BAY 1217389, Targeting MPS1 Kinase. J.Med.Chem., 63, 2020
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6GG1
| Structure of PROSS-edited human interleukin 24 | Descriptor: | Interleukin-24, NICKEL (II) ION, SULFATE ION | Authors: | Kolenko, P, Zahradnik, J, Kolarova, L, Schneider, B. | Deposit date: | 2018-05-02 | Release date: | 2019-05-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Flexible regions govern promiscuous binding of IL-24 to receptors IL-20R1 and IL-22R1. Febs J., 286, 2019
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7AZW
| Crystal structure of the MIZ1-BTB-domain | Descriptor: | GLYCEROL, Zinc finger and BTB domain-containing protein 17 isoform X1 | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | Deposit date: | 2020-11-17 | Release date: | 2021-06-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1. Structure, 29, 2021
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7AZX
| Crystal structure of the MIZ1-BTB-domain in complex with a HUWE1-derived peptide | Descriptor: | E3 ubiquitin-protein ligase HUWE1, Zinc finger and BTB domain-containing protein 17 isoform X1 | Authors: | Orth, B, Sander, B, Diederichs, K, Lorenz, S. | Deposit date: | 2020-11-17 | Release date: | 2021-06-30 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Identification of an atypical interaction site in the BTB domain of the MYC-interacting zinc-finger protein 1. Structure, 29, 2021
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4RVY
| Serial Time resolved crystallography of Photosystem II using a femtosecond X-ray laser. The S state after two flashes (S3) | Descriptor: | 1,2-DI-O-ACYL-3-O-[6-DEOXY-6-SULFO-ALPHA-D-GLUCOPYRANOSYL]-SN-GLYCEROL, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE, ... | Authors: | Kupitz, C, Basu, S, Grotjohann, I, Fromme, R, Zatsepin, N, Rendek, K.N, Hunter, M, Shoeman, R.L, White, T.A, Wang, D, James, D, Yang, J.-H, Cobb, D.E, Reeder, B, Sierra, R.G, Liu, H, Barty, A, Aquila, A, Deponte, D, Kirian, R, Bari, S, Bergkamp, J.J, Beyerlein, K, Bogan, M.J, Caleman, C, Chao, T.-C, Conrad, C.E, Davis, K.M, Fleckenstein, H, Galli, L, Hau-Riege, S.P, Kassemeyer, S, Laksmono, H, Liang, M, Lomb, L, Marchesini, S, Martin, A.V, Messerschmidt, M, Milathianaki, D, Nass, K, Ros, A, Roy-Chowdhury, S, Schmidt, K, Seibert, M, Steinbrener, J, Stellato, F, Yan, L, Yoon, C, Moore, T.A, Moore, A.L, Pushkar, Y, Williams, G.J, Boutet, S, Doak, R.B, Weierstall, U, Frank, M, Chapman, H.N, Spence, J.C.H, Fromme, P. | Deposit date: | 2014-11-29 | Release date: | 2015-11-04 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (5.5 Å) | Cite: | Serial time-resolved crystallography of photosystem II using a femtosecond X-ray laser. Nature, 513, 2014
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