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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1BT6
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![BU of 1bt6 by Molmil](/molmil-images/mine/1bt6) | P11 (S100A10), LIGAND OF ANNEXIN II IN COMPLEX WITH ANNEXIN II N-TERMINUS | Descriptor: | ANNEXIN II, S100A10 | Authors: | Rety, S, Sopkova, J, Renouard, M, Osterloh, D, Gerke, V, Russo-Marie, F, Lewit-Bentley, A. | Deposit date: | 1998-09-02 | Release date: | 1999-01-27 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | The crystal structure of a complex of p11 with the annexin II N-terminal peptide. Nat.Struct.Biol., 6, 1999
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2Y8L
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![BU of 2y8l by Molmil](/molmil-images/mine/2y8l) | Structure of the regulatory fragment of mammalian aMPK in complex with two ADP | Descriptor: | 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT GAMMA-1, ... | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2011-02-07 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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1R42
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![BU of 1r42 by Molmil](/molmil-images/mine/1r42) | Native Human Angiotensin Converting Enzyme-Related Carboxypeptidase (ACE2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ZINC ION, ... | Authors: | Towler, P, Staker, B, Prasad, S.G, Menon, S, Ryan, D, Tang, J, Parsons, T, Fisher, M, Williams, D, Dales, N.A, Patane, M.A, Pantoliano, M.W. | Deposit date: | 2003-10-07 | Release date: | 2004-02-03 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | ACE2 X-ray structures reveal a large hinge-bending motion important for inhibitor binding and catalysis. J.Biol.Chem., 279, 2004
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2YA3
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![BU of 2ya3 by Molmil](/molmil-images/mine/2ya3) | STRUCTURE OF THE REGULATORY FRAGMENT OF MAMMALIAN AMPK IN COMPLEX WITH COUMARIN ADP | Descriptor: | 3'-(7-diethylaminocoumarin-3-carbonylamino)-3'-deoxy-ADP, 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-1, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-2, ... | Authors: | Xiao, B, Sanders, M.J, Underwood, E, Heath, R, Mayer, F, Carmena, D, Jing, C, Walker, P.A, Eccleston, J.F, Haire, L.F, Saiu, P, Howell, S.A, Aasland, R, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2011-02-17 | Release date: | 2011-03-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.51 Å) | Cite: | Structure of Mammalian Ampk and its Regulation by Adp Nature, 472, 2011
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1BX0
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![BU of 1bx0 by Molmil](/molmil-images/mine/1bx0) | Ferredoxin:nadp+ oxidoreductase (ferredoxin reductase) mutant e312l | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, PHOSPHATE ION, PROTEIN (FERREDOXIN:NADP+ OXIDOREDUCTASE), ... | Authors: | Aliverti, A, Deng, Z, Ravasi, D, Piubelli, L, Karplus, P.A, Zanetti, G. | Deposit date: | 1998-10-10 | Release date: | 1998-10-14 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Probing the function of the invariant glutamyl residue 312 in spinach ferredoxin-NADP+ reductase. J.Biol.Chem., 273, 1998
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8ELC
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![BU of 8elc by Molmil](/molmil-images/mine/8elc) | Human JNK2 bound to covalent inhibitor YL2056 | Descriptor: | 4-(dimethylamino)-N-{4-[(3S)-3-({4-[(8R)-2-phenylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-yl}amino)pyrrolidine-1-carbonyl]phenyl}butanamide, Mitogen-activated protein kinase 9 | Authors: | Li, L, Gurbani, D, Westover, K.D. | Deposit date: | 2022-09-23 | Release date: | 2023-06-28 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.072 Å) | Cite: | Development of a Covalent Inhibitor of c-Jun N-Terminal Protein Kinase (JNK) 2/3 with Selectivity over JNK1. J.Med.Chem., 66, 2023
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1RNW
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![BU of 1rnw by Molmil](/molmil-images/mine/1rnw) | RECOMBINANT RIBONUCLEASE A CRYSTALLIZED FROM 80% AMMONIUM SULPHATE | Descriptor: | RIBONUCLEASE A, SULFATE ION | Authors: | Fedorov, A.A, Joseph-Mccarthy, D, Fedorov, E.V, Sirakova, D, Graf, I, Almo, S.C. | Deposit date: | 1996-11-08 | Release date: | 1997-04-01 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ionic interactions in crystalline bovine pancreatic ribonuclease A. Biochemistry, 35, 1996
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8ACA
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![BU of 8aca by Molmil](/molmil-images/mine/8aca) | SDBC DR_0644 subunit, only-Cu Superoxide Dismutase | Descriptor: | COPPER (II) ION, DR_0644, only-Cu Superoxide Dismutase | Authors: | Farci, D, Piano, D. | Deposit date: | 2022-07-05 | Release date: | 2023-04-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (2.54 Å) | Cite: | The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans. J.Biol.Chem., 299, 2023
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8AGD
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![BU of 8agd by Molmil](/molmil-images/mine/8agd) | Full SDBC and SOD assembly | Descriptor: | (3~{S},5~{R},6~{R})-5-[(3~{S},7~{R},12~{S},16~{S},20~{S})-3,7,12,16,20,24-hexamethyl-24-oxidanyl-pentacosyl]-4,4,6-trimethyl-cyclohexane-1,3-diol, COPPER (II) ION, FE (III) ION, ... | Authors: | Farci, D, Graca, A.T, Piano, D. | Deposit date: | 2022-07-19 | Release date: | 2023-04-12 | Last modified: | 2024-07-24 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | The SDBC is active in quenching oxidative conditions and bridges the cell envelope layers in Deinococcus radiodurans. J.Biol.Chem., 299, 2023
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1BK4
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![BU of 1bk4 by Molmil](/molmil-images/mine/1bk4) | CRYSTAL STRUCTURE OF RABBIT LIVER FRUCTOSE-1,6-BISPHOSPHATASE AT 2.3 ANGSTROM RESOLUTION | Descriptor: | MAGNESIUM ION, PROTEIN (FRUCTOSE-1,6-BISPHOSPHATASE), SULFATE ION | Authors: | Ghosh, D, Weeks, C.M, Erman, M, Roszak, A.W, Kaiser, R, Jornvall, H. | Deposit date: | 1998-07-14 | Release date: | 1998-07-22 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structure of rabbit liver fructose 1,6-bisphosphatase at 2.3 A resolution. Acta Crystallogr.,Sect.D, 55, 1999
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1C1H
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![BU of 1c1h by Molmil](/molmil-images/mine/1c1h) | CRYSTAL STRUCTURE OF BACILLUS SUBTILIS FERROCHELATASE IN COMPLEX WITH N-METHYL MESOPORPHYRIN | Descriptor: | FERROCHELATASE, MAGNESIUM ION, N-METHYLMESOPORPHYRIN | Authors: | Lecerof, D, Fodje, M, Hansson, A, Hansson, M, Al-Karadaghi, S. | Deposit date: | 1999-07-22 | Release date: | 2000-03-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural and mechanistic basis of porphyrin metallation by ferrochelatase. J.Mol.Biol., 297, 2000
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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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1BQU
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![BU of 1bqu by Molmil](/molmil-images/mine/1bqu) | CYTOKYNE-BINDING REGION OF GP130 | Descriptor: | GLYCEROL, PROTEIN (GP130), SULFATE ION | Authors: | Bravo, J, Staunton, D, Heath, J.K, Jones, E.Y. | Deposit date: | 1998-08-18 | Release date: | 1998-08-26 | Last modified: | 2022-12-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of a cytokine-binding region of gp130. EMBO J., 17, 1998
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1BVQ
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![BU of 1bvq by Molmil](/molmil-images/mine/1bvq) | |
2WOA
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![BU of 2woa by Molmil](/molmil-images/mine/2woa) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-(9H-FLUOREN-2-YL)-3-HYDROXYPENTANOIC ACID, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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2WO8
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![BU of 2wo8 by Molmil](/molmil-images/mine/2wo8) | MMP12 complex with a beta hydroxy carboxylic acid | Descriptor: | (3S)-5-biphenyl-4-yl-3-hydroxypentanoic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Holmes, I.P, Gaines, S, Watson, S.P, Lorthioir, O, Walker, A, Baddeley, S.J, Herbert, S, Egan, D, Convery, M.A, Singh, O.M.P, Gross, J.W, Strelow, J.M, Smith, R.H, Amour, A.J, Brown, D, Martin, S.L. | Deposit date: | 2009-07-22 | Release date: | 2009-09-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Identification of Beta-Hydroxy Carboxylic Acids as Selective Mmp-12 Inhibitors. Bioorg.Med.Chem.Lett., 19, 2009
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1QW9
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![BU of 1qw9 by Molmil](/molmil-images/mine/1qw9) | Crystal structure of a family 51 alpha-L-arabinofuranosidase in complex with 4-nitrophenyl-Ara | Descriptor: | 4-nitrophenyl alpha-L-arabinofuranoside, Alpha-L-arabinofuranosidase | Authors: | Hoevel, K, Shallom, D, Niefind, K, Belakhov, V, Shoham, G, Bassov, T, Shoham, Y, Schomburg, D. | Deposit date: | 2003-09-01 | Release date: | 2003-10-07 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal structure and snapshots along the reaction pathway of a family 51 alpha-L-arabinofuranosidase Embo J., 22, 2003
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1U9C
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![BU of 1u9c by Molmil](/molmil-images/mine/1u9c) | Crystallographic structure of APC35852 | Descriptor: | APC35852 | Authors: | Borek, D, Chen, Y, Shao, D, Collart, F, Joachimiak, A, Otwinowski, Z, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2004-08-09 | Release date: | 2004-10-05 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural analysis of DJI superfamily To be Published
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1TY4
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![BU of 1ty4 by Molmil](/molmil-images/mine/1ty4) | Crystal structure of a CED-9/EGL-1 complex | Descriptor: | Apoptosis regulator ced-9, EGg Laying defective EGL-1, programmed cell death activator | Authors: | Yan, N, Gu, L, Kokel, D, Xue, D, Shi, Y. | Deposit date: | 2004-07-07 | Release date: | 2004-09-28 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural, Biochemical, and Functional Analyses of CED-9 Recognition by the Proapoptotic Proteins EGL-1 and CED-4 Mol.Cell, 15, 2004
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1TBF
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![BU of 1tbf by Molmil](/molmil-images/mine/1tbf) | Catalytic Domain Of Human Phosphodiesterase 5A in Complex with Sildenafil | Descriptor: | 5-{2-ETHOXY-5-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-1-METHYL-3-PROPYL-1H,6H,7H-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE, GLYCEROL, MAGNESIUM ION, ... | Authors: | Zhang, K.Y.J, Card, G.L, Suzuki, Y, Artis, D.R, Fong, D, Gillette, S, Hsieh, D, Neiman, J, West, B.L, Zhang, C, Milburn, M.V, Kim, S.-H, Schlessinger, J, Bollag, G. | Deposit date: | 2004-05-20 | Release date: | 2004-08-03 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases Mol.Cell, 15, 2004
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8TCF
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![BU of 8tcf by Molmil](/molmil-images/mine/8tcf) | Integrin alpha-v beta-8 in complex with minibinder B8_BP_dsulf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (2.9 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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8TCG
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![BU of 8tcg by Molmil](/molmil-images/mine/8tcg) | Integrin alpha-v beta-6 in complex with minibinder B6_BP_dslf | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Integrin alpha-V heavy chain, ... | Authors: | Campbell, M.G, Fernandez, A, Roy, A, Kraft, J, Baker, D. | Deposit date: | 2023-06-30 | Release date: | 2023-09-27 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | De novo design of highly selective miniprotein inhibitors of integrins alpha v beta 6 and alpha v beta 8. Nat Commun, 14, 2023
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5W8R
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![BU of 5w8r by Molmil](/molmil-images/mine/5w8r) | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI | Descriptor: | 1-tert-butyl-3-[(3-chlorophenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-07-19 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor 3CIB-PPI To be published
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8CO1
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![BU of 8co1 by Molmil](/molmil-images/mine/8co1) | Type II Secretion System | Descriptor: | IPT/TIG domain-containing protein, Lipoprotein, Probable type IV piliation system protein DR_0774 | Authors: | Farci, D, Piano, D. | Deposit date: | 2023-02-26 | Release date: | 2024-04-10 | Method: | ELECTRON MICROSCOPY (2.56 Å) | Cite: | Structural characterization and functional insights into the type II secretion system of the poly-extremophile Deinococcus radiodurans. J.Biol.Chem., 300, 2024
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