1P0W
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![BU of 1p0w by Molmil](/molmil-images/mine/1p0w) | F393W mutant heme domain of flavocytochrome P450 BM3 | Descriptor: | Bifunctional P-450:NADPH-P450 reductase, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ost, T.W.B, Clark, J, Miles, C.S, Walkinshaw, M.D, Reid, G.A, Chapman, S.K, Daff, S, Mowat, C.G. | Deposit date: | 2003-04-11 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc., 125, 2003
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5NOV
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![BU of 5nov by Molmil](/molmil-images/mine/5nov) | Structure of cyclophilin A in complex with hexahydropyrimidine-2-thione | Descriptor: | 1,3-diazinane-2-thione, Peptidyl-prolyl cis-trans isomerase A | Authors: | Georgiou, C, Mcnae, I.W, Ioannidis, H, Julien, M, Walkinshaw, M.D. | Deposit date: | 2017-04-13 | Release date: | 2017-07-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Pushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders. J. Mol. Biol., 429, 2017
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1QJD
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![BU of 1qjd by Molmil](/molmil-images/mine/1qjd) | Flavocytochrome C3 from Shewanella frigidimarina | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, FLAVOCYTOCHROME C3, GLYCEROL, ... | Authors: | Taylor, P, Pealing, S.L, Reid, G.A, Chapman, S.K, Walkinshaw, M.D. | Deposit date: | 1999-06-23 | Release date: | 1999-11-21 | Last modified: | 2019-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Mapping of a Unique Fumarate Reductase Nat.Struct.Biol., 6, 1999
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1PXK
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![BU of 1pxk by Molmil](/molmil-images/mine/1pxk) | HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR N-[4-(2,4-Dimethyl-thiazol-5-yl)pyrimidin-2-yl]-N'-hydroxyiminoformamide | Descriptor: | Cell division protein kinase 2, N-[4-(2,4-DIMETHYL-1,3-THIAZOL-5-YL)PYRIMIDIN-2-YL]-N'-HYDROXYIMIDOFORMAMIDE | Authors: | Wu, S.Y, McNae, I, Kontopidis, G, McClue, S.J, McInnes, C, Stewart, K.J, Wang, S, Zheleva, D.I, Marriage, H, Lane, D.P, Taylor, P, Fischer, P.M, Walkinshaw, M.D. | Deposit date: | 2003-07-04 | Release date: | 2003-12-09 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Discovery of a novel family of CDK inhibitors with the program LIDAEUS: structural basis for ligand-induced disordering of the activation loop Structure, 11, 2003
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1CWF
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![BU of 1cwf by Molmil](/molmil-images/mine/1cwf) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-04-30 | Release date: | 1998-07-15 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWJ
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![BU of 1cwj by Molmil](/molmil-images/mine/1cwj) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-S-METHYL-SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-26 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CTX
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![BU of 1ctx by Molmil](/molmil-images/mine/1ctx) | |
1D7H
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![BU of 1d7h by Molmil](/molmil-images/mine/1d7h) | FKBP COMPLEXED WITH DMSO | Descriptor: | AMMONIUM ION, DIMETHYL SULFOXIDE, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1CWM
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![BU of 1cwm by Molmil](/molmil-images/mine/1cwm) | HUMAN CYCLOPHILIN A COMPLEXED WITH 4 MEILE CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWI
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![BU of 1cwi by Molmil](/molmil-images/mine/1cwi) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-VAL 3-(N-METHYL)-D-ALANINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-25 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1D7J
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![BU of 1d7j by Molmil](/molmil-images/mine/1d7j) | FKBP COMPLEXED WITH 4-HYDROXY-2-BUTANONE | Descriptor: | 4-HYDROXY-2-BUTANONE, AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1CWH
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![BU of 1cwh by Molmil](/molmil-images/mine/1cwh) | HUMAN CYCLOPHILIN A COMPLEXED WITH 3-D-SER CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-07 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1D6O
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![BU of 1d6o by Molmil](/molmil-images/mine/1d6o) | NATIVE FKBP | Descriptor: | AMMONIUM ION, PROTEIN (FK506-BINDING PROTEIN), SULFATE ION | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-15 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1CWK
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![BU of 1cwk by Molmil](/molmil-images/mine/1cwk) | HUMAN CYCLOPHILIN A COMPLEXED WITH 1-(6,7-DIHYDRO)MEBMT 2-VAL 3-D-(2-S-METHYL)SARCOSINE CYCLOSPORIN | Descriptor: | CYCLOSPORIN D, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1CWL
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![BU of 1cwl by Molmil](/molmil-images/mine/1cwl) | HUMAN CYCLOPHILIN A COMPLEXED WITH 4 4-HYDROXY-MELEU CYCLOSPORIN | Descriptor: | CYCLOSPORIN A, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-05-26 | Release date: | 1998-07-15 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1D7I
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![BU of 1d7i by Molmil](/molmil-images/mine/1d7i) | FKBP COMPLEXED WITH METHYL METHYLSULFINYLMETHYL SULFIDE (DSS) | Descriptor: | AMMONIUM ION, METHYL METHYLSULFINYLMETHYL SULFIDE, PROTEIN (FK506-BINDING PROTEIN), ... | Authors: | Burkhard, P, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1999-10-18 | Release date: | 1999-10-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | X-ray structures of small ligand-FKBP complexes provide an estimate for hydrophobic interaction energies. J.Mol.Biol., 295, 2000
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1CWO
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![BU of 1cwo by Molmil](/molmil-images/mine/1cwo) | HUMAN CYCLOPHILIN A COMPLEXED WITH THR2, LEU5, D-HIV8, LEU10 CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-06-05 | Release date: | 1998-08-12 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | Conformational Differences of an Immunosuppressant Peptolide in a Single Crystal and in a Crystal Complex with Human Cyclophilin A. J.Mol.Biol., 283, 1998
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1BCK
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![BU of 1bck by Molmil](/molmil-images/mine/1bck) | HUMAN CYCLOPHILIN A COMPLEXED WITH 2-THR CYCLOSPORIN | Descriptor: | CYCLOSPORIN C, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A | Authors: | Mikol, V, Kallen, J, Taylor, P, Walkinshaw, M.D. | Deposit date: | 1998-04-30 | Release date: | 1998-09-16 | Last modified: | 2023-08-02 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | X-Ray Structures and Analysis of 11 Cyclosporin Derivatives Complexed with Cyclophilin A. J.Mol.Biol., 283, 1998
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1E3B
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![BU of 1e3b by Molmil](/molmil-images/mine/1e3b) | CYCLOPHILIN 3 FROM C.ELEGANS COMPLEXED WITH AUP(ET)3 | Descriptor: | CYCLOPHILIN 3, GOLD ION, TRIETHYLPHOSPHANE | Authors: | Zou, J, Taylor, P, Dornan, J, Robinson, S.P, Walkinshaw, M.D, Sadler, P.J. | Deposit date: | 2000-06-08 | Release date: | 2000-10-22 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | First Crystal Structure of a Medicinally Relevant Gold Protein Complex:Unexpected Binding of [Au(Pet (3))](+) to Histidine Angew.Chem.Int.Ed.Engl., 39, 2000
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1A58
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![BU of 1a58 by Molmil](/molmil-images/mine/1a58) | CYCLOPHILIN FROM BRUGIA MALAYI | Descriptor: | CYCLOPHILIN | Authors: | Taylor, P, Page, A.P, Kontopidis, G, Husi, H, Walkinshaw, M.D. | Deposit date: | 1998-02-20 | Release date: | 1998-05-27 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | The X-ray structure of a divergent cyclophilin from the nematode parasite Brugia malayi. FEBS Lett., 425, 1998
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2WJ9
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![BU of 2wj9 by Molmil](/molmil-images/mine/2wj9) | ArdB | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-MERCAPTOETHANOL, CHLORIDE ION, ... | Authors: | Weikart, N.D, Roberts, G, Johnson, K.A, Oke, M, Cooper, L.P, McMahon, S.A, White, J.H, Liu, H, Carter, L.G, Walkinshaw, M.D, Blakely, G.W, Naismith, J.H, Dryden, D.T.F. | Deposit date: | 2009-05-25 | Release date: | 2010-08-18 | Last modified: | 2018-05-02 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The Scottish Structural Proteomics Facility: Targets, Methods and Outputs. J.Struct.Funct.Genomics, 11, 2010
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