6DBN
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![BU of 6dbn by Molmil](/molmil-images/mine/6dbn) | Jak1 with compound 23 | Descriptor: | Tyrosine-protein kinase JAK1, [(1S)-2,2-difluorocyclopropyl][(1R,5S)-3-{2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone | Authors: | Vajdos, F.F. | Deposit date: | 2018-05-03 | Release date: | 2018-08-29 | Last modified: | 2018-11-07 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Dual Inhibition of TYK2 and JAK1 for the Treatment of Autoimmune Diseases: Discovery of (( S)-2,2-Difluorocyclopropyl)((1 R,5 S)-3-(2-((1-methyl-1 H-pyrazol-4-yl)amino)pyrimidin-4-yl)-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone (PF-06700841). J. Med. Chem., 61, 2018
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6UVC
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![BU of 6uvc by Molmil](/molmil-images/mine/6uvc) | Crystal structure of BCL-XL bound to compound 8: (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid | Descriptor: | (R)-3-(Benzylthio)-2-(3-(2-((4'-chloro-[1,1'-biphenyl]-2-yl)methyl)-1,2,3,4-tetrahydroisoquinoline-6-carbonyl)-3-(4-methylbenzyl)ureido)propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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6UVD
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![BU of 6uvd by Molmil](/molmil-images/mine/6uvd) | Crystal structure of BCL-XL bound to compound 2: (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid | Descriptor: | (2R)-3-(Benzylsulfanyl)-2-({[(4-methylphenyl)methyl] [(4 phenylphenyl)carbonyl] carbamoyl}amino) propanoic acid, 1,2-ETHANEDIOL, Bcl-2-like protein 1, ... | Authors: | Roy, M.J, Birkinshaw, R, Lessene, G, Czabotar, P.E. | Deposit date: | 2019-11-02 | Release date: | 2021-05-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structure-Guided Development of Potent Benzoylurea Inhibitors of BCL-X L and BCL-2. J.Med.Chem., 64, 2021
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1V6J
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![BU of 1v6j by Molmil](/molmil-images/mine/1v6j) | peanut lectin-lactose complex crystallized in orthorhombic form at acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6K
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![BU of 1v6k by Molmil](/molmil-images/mine/1v6k) | Peanut lectin-lactose complex in the presence of peptide(IWSSAGNVA) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6L
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![BU of 1v6l by Molmil](/molmil-images/mine/1v6l) | Peanut lectin-lactose complex in the presence of 9mer peptide (PVIWSSATG) | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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1V6I
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![BU of 1v6i by Molmil](/molmil-images/mine/1v6i) | Peanut lectin-lactose complex in acidic pH | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Kundhavai Natchiar, S, Arockia Jeyaprakash, A, Ramya, T.N.C, Thomas, C.J, Suguna, K, Surolia, A, Vijayan, M. | Deposit date: | 2003-12-01 | Release date: | 2004-02-10 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Structural plasticity of peanut lectin: an X-ray analysis involving variation in pH, ligand binding and crystal structure. Acta Crystallogr.,Sect.D, 60, 2004
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2DVD
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![BU of 2dvd by Molmil](/molmil-images/mine/2dvd) | Crystal structure of peanut lectin GAL-ALPHA-1,3-GAL complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-31 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2DV9
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![BU of 2dv9 by Molmil](/molmil-images/mine/2dv9) | Crystal structure of peanut lectin GAL-BETA-1,3-GAL complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-30 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.48 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2DVA
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![BU of 2dva by Molmil](/molmil-images/mine/2dva) | Crystal structure of peanut lectin GAL-BETA-1,3-GALNAC-ALPHA-O-ME (Methyl-T-antigen) complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-30 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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2DVG
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![BU of 2dvg by Molmil](/molmil-images/mine/2dvg) | Crystal structure of peanut lectin GAL-ALPHA-1,6-GLC complex | Descriptor: | CALCIUM ION, Galactose-binding lectin, MANGANESE (II) ION, ... | Authors: | Natchiar, S.K, Srinivas, O, Mitra, N, Surolia, A, Jayaraman, N, Vijayan, M. | Deposit date: | 2006-07-31 | Release date: | 2006-11-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural studies on peanut lectin complexed with disaccharides involving different linkages: further insights into the structure and interactions of the lectin ACTA CRYSTALLOGR.,SECT.D, 62, 2006
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6Q7P
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![BU of 6q7p by Molmil](/molmil-images/mine/6q7p) | Crystal structure of OE1.2 | Descriptor: | 1,2-ETHANEDIOL, 1-PHENYLETHANONE, MAGNESIUM ION, ... | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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2YL3
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![BU of 2yl3 by Molmil](/molmil-images/mine/2yl3) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND L16G VARIANT AT 1.04 A RESOLUTION - RESTRAINT REFINED | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C, ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-05-31 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.04 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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6Q7R
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![BU of 6q7r by Molmil](/molmil-images/mine/6q7r) | |
2YLD
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![BU of 2yld by Molmil](/molmil-images/mine/2yld) | RECOMBINANT NATIVE CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: CARBON MONOOXIDE BOUND AT 1.25 A | Descriptor: | ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-06-02 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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6Q7O
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![BU of 6q7o by Molmil](/molmil-images/mine/6q7o) | Crystal structure of OE1 | Descriptor: | CALCIUM ION, OE1 | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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2YKZ
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![BU of 2ykz by Molmil](/molmil-images/mine/2ykz) | |
2YL0
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![BU of 2yl0 by Molmil](/molmil-images/mine/2yl0) | |
2YL7
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![BU of 2yl7 by Molmil](/molmil-images/mine/2yl7) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: AS ISOLATED L16G VARIANT AT 0.9 A RESOLUTION - RESTRAINT REFINEMENT | Descriptor: | CARBON MONOXIDE, CYTOCHROME C', HEME C | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-05-31 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (0.9 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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2YLG
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![BU of 2ylg by Molmil](/molmil-images/mine/2ylg) | CYTOCHROME C PRIME FROM ALCALIGENES XYLOSOXIDANS: ASCORBATE AND CARBON MONOOXIDE BOUND L16A VARIANT AT 1.05 A RESOLUTION | Descriptor: | ASCORBIC ACID, CARBON MONOXIDE, CYTOCHROME C', ... | Authors: | Antonyuk, S.V, Rustage, N, Eady, R.R, Hasnain, S.S. | Deposit date: | 2011-06-02 | Release date: | 2011-10-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | Carbon Monoxide Poisoning is Prevented by the Energy Costs of Conformational Changes in Gas- Binding Haemproteins. Proc.Natl.Acad.Sci.USA, 108, 2011
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6Q7N
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![BU of 6q7n by Molmil](/molmil-images/mine/6q7n) | |
8DI1
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![BU of 8di1 by Molmil](/molmil-images/mine/8di1) | |
6Q7Q
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![BU of 6q7q by Molmil](/molmil-images/mine/6q7q) | Crystal structure of OE1.3 | Descriptor: | OE1.3 | Authors: | Levy, C.W. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Design and evolution of an enzyme with a non-canonical organocatalytic mechanism. Nature, 570, 2019
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8DI0
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![BU of 8di0 by Molmil](/molmil-images/mine/8di0) | |
6QIZ
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![BU of 6qiz by Molmil](/molmil-images/mine/6qiz) | CI-2, conformation 2 | Descriptor: | Subtilisin-chymotrypsin inhibitor-2A | Authors: | Romero, A, Ruiz, F.M. | Deposit date: | 2019-01-21 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Engineering protein assemblies with allosteric control via monomer fold-switching. Nat Commun, 10, 2019
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