5TSH
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![BU of 5tsh by Molmil](/molmil-images/mine/5tsh) | PilB from Geobacter metallireducens bound to AMP-PNP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | McCallum, M, Tammam, S, Khan, A, Burrows, L, Howell, P.L. | Deposit date: | 2016-10-28 | Release date: | 2017-05-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The molecular mechanism of the type IVa pilus motors. Nat Commun, 8, 2017
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7QRI
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![BU of 7qri by Molmil](/molmil-images/mine/7qri) | Regulatory domain dimer of tryptophan hydroxylase 2 in complex with L-Phe | Descriptor: | PHENYLALANINE, Tryptophan 5-hydroxylase 2 | Authors: | Vedel, I.M, Prestel, A, Harris, P, Peters, G.H.J, Kragelund, B.B. | Deposit date: | 2022-01-11 | Release date: | 2023-05-03 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | Structural characterization of human tryptophan hydroxylase 2 reveals that L-Phe is superior to L-Trp as the regulatory domain ligand. Structure, 31, 2023
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3O8I
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![BU of 3o8i by Molmil](/molmil-images/mine/3o8i) | Structure of 14-3-3 isoform sigma in complex with a C-Raf1 peptide and a stabilizing small molecule fragment | Descriptor: | 14-3-3 binding site peptide of RAF proto-oncogene serine/threonine-protein kinase, 14-3-3 protein sigma, 6,6-dihydroxy-1-methoxyhexan-2-one | Authors: | Ottmann, C, Rose, R, Kaiser, M, Kuhenne, P. | Deposit date: | 2010-08-03 | Release date: | 2010-09-29 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Impaired Binding of 14-3-3 to C-RAF in Noonan Syndrome Suggests New Approaches in Diseases with Increased Ras Signaling Mol.Cell.Biol., 30, 2010
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7QUH
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![BU of 7quh by Molmil](/molmil-images/mine/7quh) | Siglec-8 in complex with therapeutic Fab AK002. | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-05-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.867 Å) | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody. Jacs Au, 3, 2023
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4CJ2
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![BU of 4cj2 by Molmil](/molmil-images/mine/4cj2) | Crystal structure of HEWL in complex with affitin H4 | Descriptor: | AFFITIN H4, GLYCEROL, LYSOZYME C | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | Deposit date: | 2013-12-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
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1AG7
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![BU of 1ag7 by Molmil](/molmil-images/mine/1ag7) | CONOTOXIN GS, NMR, 20 STRUCTURES | Descriptor: | CONOTOXIN GS | Authors: | Hill, J.M, Alewood, P.F, Craik, D.J. | Deposit date: | 1997-04-03 | Release date: | 1998-04-08 | Last modified: | 2022-02-16 | Method: | SOLUTION NMR | Cite: | Solution structure of the sodium channel antagonist conotoxin GS: a new molecular caliper for probing sodium channel geometry. Structure, 5, 1997
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4CG9
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![BU of 4cg9 by Molmil](/molmil-images/mine/4cg9) | Human choline kinase a1 in complex with compound 12 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.83 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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5LPF
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![BU of 5lpf by Molmil](/molmil-images/mine/5lpf) | Kallikrein-related peptidase 10 | Descriptor: | Kallikrein-10, SULFATE ION | Authors: | Goettig, P, Debela, M, Magdolen, V, Bode, W, Brandstetter, H. | Deposit date: | 2016-08-12 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural basis for the Zn2+ inhibition of the zymogen-like kallikrein-related peptidase 10. Biol.Chem., 397, 2016
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7QA5
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1A5E
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![BU of 1a5e by Molmil](/molmil-images/mine/1a5e) | SOLUTION NMR STRUCTURE OF TUMOR SUPPRESSOR P16INK4A, 18 STRUCTURES | Descriptor: | TUMOR SUPPRESSOR P16INK4A | Authors: | Byeon, I.-J.L, Li, J, Ericson, K, Selby, T.L, Tevelev, A, Kim, H.-J, O'Maille, P, Tsai, M.-D. | Deposit date: | 1998-02-13 | Release date: | 1999-08-13 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Tumor suppressor p16INK4A: determination of solution structure and analyses of its interaction with cyclin-dependent kinase 4. Mol.Cell, 1, 1998
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6PQM
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4Y0G
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![BU of 4y0g by Molmil](/molmil-images/mine/4y0g) | beta2 carbohydrate binding module (CBM) of AMP-activated protein kinase (AMPK) | Descriptor: | 5'-AMP-activated protein kinase subunit beta-2, GLYCEROL | Authors: | Mobbs, J, Gorman, M.A, Parker, M.W, Gooley, P.R, Griffin, M. | Deposit date: | 2015-02-06 | Release date: | 2015-04-08 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Determinants of oligosaccharide specificity of the carbohydrate-binding modules of AMP-activated protein kinase. Biochem.J., 468, 2015
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5LVL
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![BU of 5lvl by Molmil](/molmil-images/mine/5lvl) | Human PDK1 Kinase Domain in Complex with Compound PS653 Bound to the ATP-Binding Site | Descriptor: | 2,6-DIHYDROANTHRA/1,9-CD/PYRAZOL-6-ONE, 3-phosphoinositide-dependent protein kinase 1, DIMETHYL SULFOXIDE, ... | Authors: | Schulze, J.O, Saladino, G, Busschots, K, Neimanis, S, Suess, E, Odadzic, D, Zeuzem, S, Hindie, V, Herbrand, A.K, Lisa, M.N, Alzari, P.M, Gervasio, F.L, Biondi, R.M. | Deposit date: | 2016-09-14 | Release date: | 2016-10-19 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Bidirectional Allosteric Communication between the ATP-Binding Site and the Regulatory PIF Pocket in PDK1 Protein Kinase. Cell Chem Biol, 23, 2016
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4Y12
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4CIM
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![BU of 4cim by Molmil](/molmil-images/mine/4cim) | Complex of a Bcl-w BH3 mutant with a BH3 domain | Descriptor: | 1,2-ETHANEDIOL, BCL-2-LIKE PROTEIN 2 | Authors: | Colman, P.M, Lee, E.F, Fairlie, W.D. | Deposit date: | 2013-12-12 | Release date: | 2014-11-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | The Functional Differences of Pro-Survival and Pro-Apoptotic B Cell Lymphoma 2 (Bcl-2) Proteins Depend on Structural Differences in Their Bcl-2 Homology 3 (Bh3) Domains J.Biol.Chem., 289, 2014
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1A3W
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![BU of 1a3w by Molmil](/molmil-images/mine/1a3w) | PYRUVATE KINASE FROM SACCHAROMYCES CEREVISIAE COMPLEXED WITH FBP, PG, MN2+ AND K+ | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 2-PHOSPHOGLYCOLIC ACID, MANGANESE (II) ION, ... | Authors: | Jurica, M.S, Mesecar, A, Heath, P.J, Shi, W, Nowak, T, Stoddard, B.L. | Deposit date: | 1998-01-26 | Release date: | 1998-05-27 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | The allosteric regulation of pyruvate kinase by fructose-1,6-bisphosphate. Structure, 6, 1998
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4CGA
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![BU of 4cga by Molmil](/molmil-images/mine/4cga) | Human choline kinase a1 in complex with compound 5 | Descriptor: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[[4-(2-phenylethyl)phenyl]methyl]pyridin-1-ium-4-amine | Authors: | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | Deposit date: | 2013-11-21 | Release date: | 2014-01-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.74 Å) | Cite: | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives J.Med.Chem., 57, 2014
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2VU2
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![BU of 2vu2 by Molmil](/molmil-images/mine/2vu2) | Biosynthetic thiolase from Z. ramigera. Complex with S-pantetheine-11- pivalate. | Descriptor: | (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate, ACETYL-COA ACETYLTRANSFERASE, SULFATE ION | Authors: | Kursula, P, Merilainen, G, Schmitz, W, Wierenga, R.K. | Deposit date: | 2008-05-19 | Release date: | 2008-10-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | The Sulfur Atoms of the Substrate Coa and the Catalytic Cysteine are Required for a Productive Mode of Substrate Binding in Bacterial Biosynthetic Thiolase, a Thioester-Dependent Enzyme. FEBS J., 275, 2008
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1HXI
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![BU of 1hxi by Molmil](/molmil-images/mine/1hxi) | AN UNEXPECTED EXTENDED CONFORMATION FOR THE THIRD TPR MOTIF OF THE PEROXIN PEX5 FROM TRYPANOSOMA BRUCEI | Descriptor: | MAGNESIUM ION, PEROXISOME TARGETING SIGNAL 1 RECEPTOR PEX5 | Authors: | Kumar, A, Roach, C, Hirsh, I.S, Turley, S, deWalque, S, Michels, P.A.M, Hol, W.G.J. | Deposit date: | 2001-01-15 | Release date: | 2001-03-21 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | An unexpected extended conformation for the third TPR motif of the peroxin PEX5 from Trypanosoma brucei. J.Mol.Biol., 307, 2001
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4CJ0
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![BU of 4cj0 by Molmil](/molmil-images/mine/4cj0) | Crystal structure of CelD in complex with affitin E12 | Descriptor: | CALCIUM ION, E12 AFFITIN, ENDOGLUCANASE D, ... | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | Deposit date: | 2013-12-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
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1HXP
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![BU of 1hxp by Molmil](/molmil-images/mine/1hxp) | NUCLEOTIDE TRANSFERASE | Descriptor: | BETA-MERCAPTOETHANOL, FE (III) ION, HEXOSE-1-PHOSPHATE URIDYLYLTRANSFERASE, ... | Authors: | Wedekind, J.E, Frey, P.A, Rayment, I. | Deposit date: | 1995-06-09 | Release date: | 1996-11-08 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Three-dimensional structure of galactose-1-phosphate uridylyltransferase from Escherichia coli at 1.8 A resolution. Biochemistry, 34, 1995
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6PRQ
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4CJ1
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![BU of 4cj1 by Molmil](/molmil-images/mine/4cj1) | Crystal structure of CelD in complex with affitin H3 | Descriptor: | CALCIUM ION, ENDOGLUCANASE D, GLYCEROL, ... | Authors: | Correa, A, Pacheco, S, Mechaly, A.E, Obal, G, Behar, G, Mouratou, B, Oppezzo, P, Alzari, P.M, Pecorari, F. | Deposit date: | 2013-12-18 | Release date: | 2014-05-21 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Potent and Specific Inhibition of Glycosidases by Small Artificial Binding Proteins (Affitins) Plos One, 9, 2014
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1OA3
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![BU of 1oa3 by Molmil](/molmil-images/mine/1oa3) | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ENDO-BETA-1-4-GLUCANASE | Authors: | Sandgren, M, Gualfetti, P.J, Shaw, A, Gross, L.S, Saldajeno, M, Day, A.G, Jones, T.A, Mitchinson, C. | Deposit date: | 2002-12-28 | Release date: | 2003-03-27 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Comparison of Family 12 Glycoside Hydrolases and Recruited Substitutions Important for Thermal Stability Protein Sci., 12, 2003
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3ZVT
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![BU of 3zvt by Molmil](/molmil-images/mine/3zvt) | Unexpected tricovalent binding mode of boronic acids within the active site of a penicillin binding protein | Descriptor: | 2,6 DIMETHOXYBENZAMIDOBORONIC ACID, D-ALANYL-D-ALANINE CARBOXYPEPTIDASE, MAGNESIUM ION, ... | Authors: | Sauvage, E, Zervosen, A, Herman, R, Kerff, F, Rocaboy, M, Charlier, P. | Deposit date: | 2011-07-27 | Release date: | 2012-02-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Unexpected Tricovalent Binding Mode of Boronic Acids within the Active Site of a Penicillin- Binding Protein. J.Am.Chem.Soc., 133, 2011
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