6QKK
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![BU of 6qkk by Molmil](/molmil-images/mine/6qkk) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (1) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]benzamide, ... | Authors: | Davis, S, Bueno, R.V, Dawson, A, Hunter, W.N. | Deposit date: | 2019-01-29 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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6T9R
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![BU of 6t9r by Molmil](/molmil-images/mine/6t9r) | Aplysia californica AChBP in complex with a cytisine derivative | Descriptor: | (1~{R},9~{S})-5-(3-oxidanylpropyl)-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-dien-6-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholine binding protein, ... | Authors: | Davis, S, Hunter, W.N. | Deposit date: | 2019-10-28 | Release date: | 2020-02-12 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | The thermodynamic profile and molecular interactions of a C(9)-cytisine derivative-binding acetylcholine-binding protein from Aplysia californica. Acta Crystallogr.,Sect.F, 76, 2020
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1FVT
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![BU of 1fvt by Molmil](/molmil-images/mine/1fvt) | THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH AN OXINDOLE INHIBITOR | Descriptor: | 4-[(2Z)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]benzene-1-sulfonamide, CELL DIVISION PROTEIN KINASE 2 | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | Deposit date: | 2000-09-20 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science, 291, 2001
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1FVV
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![BU of 1fvv by Molmil](/molmil-images/mine/1fvv) | THE STRUCTURE OF CDK2/CYCLIN A IN COMPLEX WITH AN OXINDOLE INHIBITOR | Descriptor: | 4-[(7-OXO-7H-THIAZOLO[5,4-E]INDOL-8-YLMETHYL)-AMINO]-N-PYRIDIN-2-YL-BENZENESULFONAMIDE, CYCLIN A, CYCLIN-DEPENDENT KINASE 2 | Authors: | Davis, S.T, Benson, B.G, Bramson, H.N, Chapman, D.E, Dickerson, S.H, Dold, K.M, Eberwein, D.J, Edelstein, M, Frye, S.V, Gampe Jr, R.T, Griffin, R.J, Harris, P.A, Hassell, A.M, Holmes, W.D, Hunter, R.N, Knick, V.B, Lackey, K, Lovejoy, B, Luzzio, M.J, Murray, D, Parker, P, Rocque, W.J, Shewchuk, L, Veal, J.M, Walker, D.H, Kuyper, L.K. | Deposit date: | 2000-09-20 | Release date: | 2001-01-17 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Prevention of chemotherapy-induced alopecia in rats by CDK inhibitors. Science, 291, 2001
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1BL0
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![BU of 1bl0 by Molmil](/molmil-images/mine/1bl0) | MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN (MARA)/DNA COMPLEX | Descriptor: | DNA (5'-D(*CP*CP*GP*AP*TP*GP*CP*CP*AP*CP*GP*TP*TP*TP*TP*GP*CP*TP*AP*AP*AP*TP* CP*C)-3'), DNA (5'-D(*GP*GP*GP*GP*AP*TP*TP*TP*AP*GP*CP*AP*AP*AP*AP*CP*GP*TP*GP*GP*CP*AP* TP*C)-3'), PROTEIN (MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN) | Authors: | Davies, S, Rhee, R.G, Martin, J.L, Rosner, D.R. | Deposit date: | 1998-07-22 | Release date: | 1998-09-02 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A novel DNA-binding motif in MarA: the first structure for an AraC family transcriptional activator. Proc.Natl.Acad.Sci.USA, 95, 1998
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1DAX
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![BU of 1dax by Molmil](/molmil-images/mine/1dax) | OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR, MINIMIZED AVERAGE STRUCTURE | Descriptor: | FERREDOXIN I, IRON/SULFUR CLUSTER | Authors: | Davy, S.L, Osborne, M.J, Moore, G.R. | Deposit date: | 1997-12-01 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Determination of the structure of oxidised Desulfovibrio africanus ferredoxin I by 1H NMR spectroscopy and comparison of its solution structure with its crystal structure. J.Mol.Biol., 277, 1998
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1DFD
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![BU of 1dfd by Molmil](/molmil-images/mine/1dfd) | OXIDISED DESULFOVIBRIO AFRICANUS FERREDOXIN I, NMR, 19 STRUCTURES | Descriptor: | FERREDOXIN I, IRON/SULFUR CLUSTER | Authors: | Davy, S.L, Osborne, M.J, Moore, G.R. | Deposit date: | 1997-12-01 | Release date: | 1999-01-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Determination of the structure of oxidised Desulfovibrio africanus ferredoxin I by 1H NMR spectroscopy and comparison of its solution structure with its crystal structure. J.Mol.Biol., 277, 1998
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6QQP
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![BU of 6qqp by Molmil](/molmil-images/mine/6qqp) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (2) | Descriptor: | 1,2-ETHANEDIOL, 2-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-4-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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2Z3R
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![BU of 2z3r by Molmil](/molmil-images/mine/2z3r) | Crystal structure of the IL-15/IL-15Ra complex | Descriptor: | GLYCEROL, Interleukin-15, Interleukin-15 receptor alpha chain | Authors: | Chirifu, M, Yamagata, Y, Davis, S.J, Ikemizu, S. | Deposit date: | 2007-06-05 | Release date: | 2007-09-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the IL-15-IL-15Ralpha complex, a cytokine-receptor unit presented in trans Nat.Immunol., 8, 2007
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2Z3Q
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![BU of 2z3q by Molmil](/molmil-images/mine/2z3q) | Crystal structure of the IL-15/IL-15Ra complex | Descriptor: | Interleukin-15, Interleukin-15 receptor alpha chain | Authors: | Chirifu, M, Yamagata, Y, Davis, S.J, Ikemizu, S. | Deposit date: | 2007-06-05 | Release date: | 2007-09-04 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal structure of the IL-15-IL-15Ralpha complex, a cytokine-receptor unit presented in trans Nat.Immunol., 8, 2007
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6QQO
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![BU of 6qqo by Molmil](/molmil-images/mine/6qqo) | Aplysia californica AChBP in complex with 2-Fluoro-(carbamoylpyridinyl)deschloroepibatidine analogue (3) | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-[5-[(1~{R},2~{R},4~{S})-7-azabicyclo[2.2.1]heptan-2-yl]-2-fluoranyl-pyridin-3-yl]pyridine-3-carboxamide, ... | Authors: | Bueno, R.V, Davis, S, Dawson, A, Hunter, W.N. | Deposit date: | 2019-02-18 | Release date: | 2020-03-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Interactions between 2'-fluoro-(carbamoylpyridinyl)deschloroepibatidine analogues and acetylcholine-binding protein inform on potent antagonist activity against nicotinic receptors Acta Crystallogr.,Sect.D, 78, 2022
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1HNG
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![BU of 1hng by Molmil](/molmil-images/mine/1hng) | CRYSTAL STRUCTURE AT 2.8 ANGSTROMS RESOLUTION OF A SOLUBLE FORM OF THE CELL ADHESION MOLECULE CD2 | Descriptor: | CD2 | Authors: | Jones, E.Y, Davis, S.J, Williams, A.F, Harlos, K, Stuart, D.I. | Deposit date: | 1994-08-10 | Release date: | 1995-02-07 | Last modified: | 2024-06-05 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Crystal structure at 2.8 A resolution of a soluble form of the cell adhesion molecule CD2. Nature, 360, 1992
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1CCZ
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![BU of 1ccz by Molmil](/molmil-images/mine/1ccz) | CRYSTAL STRUCTURE OF THE CD2-BINDING DOMAIN OF CD58 (LYMPHOCYTE FUNCTION-ASSOCIATED ANTIGEN 3) AT 1.8-A RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PROTEIN (CD58) | Authors: | Ikemizu, S, Sparks, L.M, Van Der Merwe, P.A, Harlos, K, Stuart, D.I, Jones, E.Y, Davis, S.J. | Deposit date: | 1999-03-02 | Release date: | 1999-04-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Crystal structure of the CD2-binding domain of CD58 (lymphocyte function-associated antigen 3) at 1.8-A resolution. Proc.Natl.Acad.Sci.USA, 96, 1999
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1HNF
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![BU of 1hnf by Molmil](/molmil-images/mine/1hnf) | CRYSTAL STRUCTURE OF THE EXTRACELLULAR REGION OF THE HUMAN CELL ADHESION MOLECULE CD2 AT 2.5 ANGSTROMS RESOLUTION | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CD2, SODIUM ION | Authors: | Bodian, D.L, Jones, E.Y, Harlos, K, Stuart, D.I, Davis, S.J. | Deposit date: | 1994-08-10 | Release date: | 1995-02-07 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal structure of the extracellular region of the human cell adhesion molecule CD2 at 2.5 A resolution. Structure, 2, 1994
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5FMV
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![BU of 5fmv by Molmil](/molmil-images/mine/5fmv) | Crystal structure of human CD45 extracellular region, domains d1-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C, SULFATE ION | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-09 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN6
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![BU of 5fn6 by Molmil](/molmil-images/mine/5fn6) | Crystal structure of human CD45 extracellular region, domains d1-d3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN8
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![BU of 5fn8 by Molmil](/molmil-images/mine/5fn8) | Crystal structure of rat CD45 extracellular region, domains d3-d4 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CITRATE ANION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-11 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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5FN7
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![BU of 5fn7 by Molmil](/molmil-images/mine/5fn7) | Crystal structure of human CD45 extracellular region, domains d1-d2 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, MERCURY (II) ION, RECEPTOR-TYPE TYROSINE-PROTEIN PHOSPHATASE C | Authors: | Chang, V.T, Fernandes, R.A, Ganzinger, K.A, Lee, S.F, Siebold, C, McColl, J, Jonsson, P, Palayret, M, Harlos, K, Coles, C.H, Jones, E.Y, Lui, Y, Huang, E, Gilbert, R.J.C, Klenerman, D, Aricescu, A.R, Davis, S.J. | Deposit date: | 2015-11-10 | Release date: | 2016-03-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Initiation of T Cell Signaling by Cd45 Segregation at 'Close Contacts'. Nat.Immunol., 17, 2016
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1NVQ
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![BU of 1nvq by Molmil](/molmil-images/mine/1nvq) | The Complex Structure Of Checkpoint Kinase Chk1/UCN-01 | Descriptor: | 7-HYDROXYSTAUROSPORINE, Peptide ASVSA, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVR
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![BU of 1nvr by Molmil](/molmil-images/mine/1nvr) | The Complex Structure Of Checkpoint Kinase Chk1/Staurosporine | Descriptor: | Peptide ASVSA, STAUROSPORINE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1NVS
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![BU of 1nvs by Molmil](/molmil-images/mine/1nvs) | The Complex Structure Of Checkpoint Kinase Chk1/SB218078 | Descriptor: | Peptide ASVSA, REL-(9R,12S)-9,10,11,12-TETRAHYDRO-9,12-EPOXY-1H-DIINDOLO[1,2,3-FG:3',2',1'-KL]PYRROLO[3,4-I][1,6]BENZODIAZOCINE-1,3(2H)-DIONE, SULFATE ION, ... | Authors: | Zhao, B, Bower, M.J, McDevitt, P.J, Zhao, H, Davis, S.T, Johanson, K.O, Green, S.M, Concha, N.O, Zhou, B.B. | Deposit date: | 2003-02-04 | Release date: | 2003-04-08 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural Basis for Chk1 Inhibition by UCN-01 J.Biol.Chem., 277, 2002
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1R17
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![BU of 1r17 by Molmil](/molmil-images/mine/1r17) | Crystal Structure Analysis of S.epidermidis adhesin SdrG binding to Fibrinogen (adhesin-ligand complex) | Descriptor: | CALCIUM ION, fibrinogen-binding protein SdrG, fibrinopeptide B | Authors: | Ponnuraj, K, Bowden, M.G, Davis, S, Gurusiddappa, S, Moore, D, Choe, D, Xu, Y, Hook, M, Narayana, S.V.L. | Deposit date: | 2003-09-23 | Release date: | 2003-10-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.86 Å) | Cite: | A "dock, lock and latch" Structural Model for a Staphylococcal Adhesin Binding to Fibrinogen Cell(Cambridge,Mass.), 115, 2003
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4AT4
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![BU of 4at4 by Molmil](/molmil-images/mine/4at4) | CRYSTAL STRUCTURE OF TRKB KINASE DOMAIN IN COMPLEX WITH EX429 | Descriptor: | 1-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea, BDNF/NT-3 GROWTH FACTORS RECEPTOR | Authors: | Bertrand, T, Kothe, M, Liu, J, Dupuy, A, Rak, A, Berne, P.F, Davis, S, Gladysheva, T, Valtre, C, Crenne, J.Y, Mathieu, M. | Deposit date: | 2012-05-03 | Release date: | 2012-08-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | The Crystal Structures of Trka and Trkb Suggest Key Regions for Achieving Selective Inhibition. J.Mol.Biol., 423, 2012
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1R19
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![BU of 1r19 by Molmil](/molmil-images/mine/1r19) | Crystal Structure Analysis of S.epidermidis adhesin SdrG binding to Fibrinogen (Apo structure) | Descriptor: | fibrinogen-binding protein SdrG | Authors: | Ponnuraj, K, Bowden, M.G, Davis, S, Gurusiddappa, S, Moore, D, Choe, D, Xu, Y, Hook, M, Narayana, S.V.L. | Deposit date: | 2003-09-23 | Release date: | 2003-10-28 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (3.51 Å) | Cite: | A "dock, lock and latch" Structural Model for a Staphylococcal Adhesin Binding to Fibrinogen Cell(Cambridge,Mass.), 115, 2003
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3OSK
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![BU of 3osk by Molmil](/molmil-images/mine/3osk) | Crystal structure of human CTLA-4 apo homodimer | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, GLYCEROL | Authors: | Yu, C, Sonnen, A.F.-P, Ikemizu, S, Stuart, D.I, Gilbert, R.J.C, Davis, S.J. | Deposit date: | 2010-09-09 | Release date: | 2010-12-08 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Rigid-body ligand recognition drives cytotoxic T-lymphocyte antigen 4 (CTLA-4) receptor triggering J.Biol.Chem., 286, 2011
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