6CAN
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1T32
| A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, Cathepsin G, SULFATE ION | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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1T31
| A Dual Inhibitor of the Leukocyte Proteases Cathepsin G and Chymase with Therapeutic Efficacy in Animals Models of Inflammation | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[3-({METHYL[1-(2-NAPHTHOYL)PIPERIDIN-4-YL]AMINO}CARBONYL)-2-NAPHTHYL]-1-(1-NAPHTHYL)-2-OXOETHYLPHOSPHONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de Garavilla, L, Greco, M.N, Giardino, E.C, Wells, G.I, Haertlein, B.J, Kauffman, J.A, Corcoran, T.W, Derian, C.K, Eckardt, A.J, Abraham, W.M, Sukumar, N, Chen, Z, Pineda, A.O, Mathews, F.S, Di Cera, E, Andrade-Gordon, P, Damiano, B.P, Maryanoff, B.E, Pereira, P.J.B, Wang, Z.M, Rubin, H, Huber, R, Bode, W, Schechter, N.M, Strobl, S. | Deposit date: | 2004-04-23 | Release date: | 2005-03-01 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | A novel, potent dual inhibitor of the leukocyte proteases cathepsin G and chymase: molecular mechanisms and anti-inflammatory activity in vivo. J.Biol.Chem., 280, 2005
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6P2V
| RebH Variant 10S, Tryptamine 5-halogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH | Authors: | Andorfer, M.C, Sukumar, N, Lewis, J.C. | Deposit date: | 2019-05-22 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.553 Å) | Cite: | Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity To Be Published
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6P00
| RebH Variant 8F, Tryptamine 6-halogenase | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Flavin-dependent tryptophan halogenase RebH | Authors: | Andorfer, M.C, Sukumar, N, Lewis, J.C. | Deposit date: | 2019-05-16 | Release date: | 2020-05-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.249 Å) | Cite: | Structural and Computational Analysis of Laboratory-Evolved Halogenases Reveals Molecular Details of Site-Selectivity To Be Published
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2PMV
| Crystal Structure of Human Intrinsic Factor- Cobalamin Complex at 2.6 A Resolution | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, COBALAMIN, Gastric intrinsic factor | Authors: | Mathews, F.S, Gordon, M.M, Chen, Z, Rajashankar, K.R, Ealick, S.E, Alpers, D.H, Sukumar, N. | Deposit date: | 2007-04-23 | Release date: | 2007-10-30 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structure of human intrinsic factor: Cobalamin complex at 2.6-A resolution Proc.Natl.Acad.Sci.USA, 104, 2007
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1KDH
| Binary Complex of Murine Terminal Deoxynucleotidyl Transferase with a Primer Single Stranded DNA | Descriptor: | 5'-D(P*(BRU)P*(BRU)P*(BRU)P*(BRU))-3', MAGNESIUM ION, SODIUM ION, ... | Authors: | Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C. | Deposit date: | 2001-11-13 | Release date: | 2002-05-13 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase. EMBO J., 21, 2002
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1KEJ
| Crystal Structure of Murine Terminal Deoxynucleotidyl Transferase complexed with ddATP | Descriptor: | 2',3'-DIDEOXYADENOSINE-5'-TRIPHOSPHATE, COBALT (II) ION, SODIUM ION, ... | Authors: | Delarue, M, Boule, J.B, Lescar, J, Expert-Bezancon, N, Jourdan, N, Sukumar, N, Rougeon, F, Papanicolaou, C. | Deposit date: | 2001-11-16 | Release date: | 2002-05-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Crystal structures of a template-independent DNA polymerase: murine terminal deoxynucleotidyltransferase. EMBO J., 21, 2002
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1XEK
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1XEI
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1XEJ
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6WVH
| Human VKOR with Brodifacoum | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV3
| Human VKOR with warfarin | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.197 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WVI
| VKOR-like from Takifugu rubripes | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-06 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WVB
| Takifugu rubripes VKOR-like with warfarin | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.872 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV4
| Human VKOR C43S with warfarin | Descriptor: | S-WARFARIN, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (3.012 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV8
| Takifugu rubripes VKOR-like C138S mutant with vitamin K1 | Descriptor: | PHYLLOQUINONE, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (3.01 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV9
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6WVA
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6WV7
| Human VKOR with Chlorophacinone | Descriptor: | Chlorophacinone, Vitamin K epoxide reductase, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.483 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV6
| Human VKOR with phenindione | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ... | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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6WV5
| Human VKOR C43S mutant with vitamin K1 epoxide | Descriptor: | (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein | Authors: | Liu, S, Sukumar, N, Li, W. | Deposit date: | 2020-05-05 | Release date: | 2020-11-11 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation. Science, 371, 2021
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7TFF
| Crystal structure of human platelet phosphofructokinase-1 mutant- D564N | Descriptor: | ATP-dependent 6-phosphofructokinase, platelet type, PHOSPHATE ION, ... | Authors: | Hansen, H, Webb, B.A, Robart, A.R, Narayanasami, S. | Deposit date: | 2022-01-06 | Release date: | 2023-07-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | Cancer-associated somatic mutations in human phosphofructokinase-1 reveal a critical electrostatic interaction for allosteric regulation of enzyme activity. Biochem.J., 480, 2023
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7REN
| Room temperature serial crystal structure of Glutaminase C in complex with inhibitor UPGL-00004 | Descriptor: | 2-phenyl-N-{5-[4-({5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}amino)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | Deposit date: | 2021-07-13 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
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7RGG
| Room temperature serial crystal structure of Glutaminase C in complex with inhibitor BPTES | Descriptor: | Glutaminase kidney isoform, mitochondrial 68 kDa chain, N,N'-[sulfanediylbis(ethane-2,1-diyl-1,3,4-thiadiazole-5,2-diyl)]bis(2-phenylacetamide) | Authors: | Milano, S.K, Finke, A, Cerione, R.A. | Deposit date: | 2021-07-15 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | New insights into the molecular mechanisms of glutaminase C inhibitors in cancer cells using serial room temperature crystallography. J.Biol.Chem., 298, 2022
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