1NX1
| Calpain Domain VI Complexed with Calpastatin Inhibitory Domain C (DIC) | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit, ... | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | Deposit date: | 2003-02-07 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor. J.Mol.Biol., 328, 2003
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1NX0
| Structure of Calpain Domain 6 in Complex with Calpastatin DIC | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit, ... | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | Deposit date: | 2003-02-07 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor. J.Mol.Biol., 328, 2003
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1NX2
| Calpain Domain VI | Descriptor: | CALCIUM ION, Calcium-dependent protease, small subunit | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | Deposit date: | 2003-02-07 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor. J.Mol.Biol., 328, 2003
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1NX3
| Calpain Domain VI in Complex with the Inhibitor PD150606 | Descriptor: | 3-(4-IODO-PHENYL)-2-MERCAPTO-PROPIONIC ACID, CALCIUM ION, Calcium-dependent protease, ... | Authors: | Todd, B, Moore, D, Deivanayagam, C.C.S, Lin, G.-D, Chattopadhyay, D, Maki, M, Wang, K.K.W, Narayana, S.V.L. | Deposit date: | 2003-02-07 | Release date: | 2003-08-19 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | A structural model for the inhibition of calpain by calpastatin: crystal structures of the native domain VI of calpain and its complexes with calpastatin peptide and a small molecule inhibitor. J.Mol.Biol., 328, 2003
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2R7E
| Crystal Structure Analysis of Coagulation Factor VIII | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, COPPER (II) ION, ... | Authors: | Stoddard, B.L, Shen, B.W. | Deposit date: | 2007-09-07 | Release date: | 2008-04-15 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3.7 Å) | Cite: | The tertiary structure and domain organization of coagulation factor VIII. Blood, 111, 2008
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1BL5
| ISOCITRATE DEHYDROGENASE FROM E. COLI SINGLE TURNOVER LAUE STRUCTURE OF RATE-LIMITED PRODUCT COMPLEX, 10 MSEC TIME RESOLUTION | Descriptor: | 2-OXOGLUTARIC ACID, ISOCITRATE DEHYDROGENASE, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Cohen, B, Brubaker, M, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1998-07-23 | Release date: | 1999-05-04 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Millisecond Laue structures of an enzyme-product complex using photocaged substrate analogs. Nat.Struct.Biol., 5, 1998
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5GCH
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5IEN
| Structure of CDL2.2, a computationally designed Vitamin-D3 binder | Descriptor: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.2, GLYCEROL | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
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5IF6
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5IER
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5T2O
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5T2H
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5T2N
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5T8D
| Engineered variant of I-OnuI meganuclease targeting the HIV integrase gene; harbors 47 point mutations relative to wild-type I-OnuI | Descriptor: | CALCIUM ION, DNA (26-MER), I-OnuI_e-vHIVInt_v2 | Authors: | Stoddard, B.L, Werther, R, Lambert, A.R. | Deposit date: | 2016-09-07 | Release date: | 2017-05-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Tuning DNA binding affinity and cleavage specificity of an engineered gene-targeting nuclease via surface display, flow cytometry and cellular analyses. Protein Eng.Des.Sel., 30, 2017
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5IEO
| Structure of CDL2.3a, a computationally designed Vitamin-D3 binder | Descriptor: | 1,2-ETHANEDIOL, 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3a | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.851 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
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5IEP
| Structure of CDL2.3b, a computationally designed Vitamin-D3 binder | Descriptor: | 3-{2-[1-(5-HYDROXY-1,5-DIMETHYL-HEXYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLOHEXANOL, CDL2.3b | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2016-02-25 | Release date: | 2017-03-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | Unintended specificity of an engineered ligand-binding protein facilitated by unpredicted plasticity of the protein fold. Protein Eng.Des.Sel., 31, 2018
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1AI2
| ISOCITRATE DEHYDROGENASE COMPLEXED WITH ISOCITRATE, NADP+, AND CALCIUM (FLASH-COOLED) | Descriptor: | ISOCITRATE CALCIUM COMPLEX, ISOCITRATE DEHYDROGENASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-10-15 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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1AI3
| ORBITAL STEERING IN THE CATALYTIC POWER OF ENZYMES: SMALL STRUCTURAL CHANGES WITH LARGE CATALYTIC CONSEQUENCES | Descriptor: | ISOCITRATE DEHYDROGENASE, ISOCITRIC ACID, MAGNESIUM ION, ... | Authors: | Stoddard, B.L, Mesecar, A, Koshland Junior, D.E. | Deposit date: | 1997-04-30 | Release date: | 1997-11-12 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences. Science, 277, 1997
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4Z1X
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1P8K
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4J8T
| Engineered Digoxigenin binder DIG10.2 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.2 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-14 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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4J9A
| Engineered Digoxigenin binder DIG10.3 | Descriptor: | DIGOXIGENIN, Engineered Digoxigenin binder protein DIG10.3 | Authors: | Stoddard, B.L, Doyle, L.A. | Deposit date: | 2013-02-15 | Release date: | 2013-06-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Computational design of ligand-binding proteins with high affinity and selectivity. Nature, 501, 2013
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3SDP
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3G77
| Bacterial cytosine deaminase V152A/F316C/D317G mutant | Descriptor: | Cytosine deaminase, FE (III) ION | Authors: | Stoddard, B, Zhao, L. | Deposit date: | 2009-02-09 | Release date: | 2009-09-22 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Bacterial cytosine deaminase mutants created by molecular engineering show improved 5-fluorocytosine-mediated cell killing in vitro and in vivo. Cancer Res., 69, 2009
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3GCH
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