4FZB
| Structure of thymidylate synthase ThyX complexed to a new inhibitor | Descriptor: | 2-hydroxy-3-(4-methoxybenzyl)naphthalene-1,4-dione, DIMETHYL SULFOXIDE, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Basta, T, Boum, Y, Briffotaux, J, Becker, H.F, Lamarre-Jouenne, I, Lambry, J.C, Skouloubris, S, Liebl, U, van Tilbeurgh, H, Graille, M, Myllylkallio, H. | Deposit date: | 2012-07-06 | Release date: | 2013-05-22 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | Mechanistic and structural basis for inhibition of thymidylate synthase ThyX. Open Biology, 2, 2012
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1EBG
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3N59
| Type II dehydroquinase from Mycobacterium Tuberculosis complexed with 3-dehydroshikimate | Descriptor: | (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid, 3-dehydroquinate dehydratase, CHLORIDE ION | Authors: | Snee, W.C, Palaninathan, S.K, Sacchettini, J.C, Dias, M.V.B, Bromfield, K.M, Payne, R, Ciulli, A, Howard, N.I, Abell, C, Blundell, T.L, TB Structural Genomics Consortium (TBSGC) | Deposit date: | 2010-05-24 | Release date: | 2010-07-21 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | Structural investigation of inhibitor designs targeting 3-dehydroquinate dehydratase from the shikimate pathway of Mycobacterium tuberculosis. Biochem.J., 436, 2011
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2JIM
| A New Catalytic Mechanism of Periplasmic Nitrate Reductase from Desulfovibrio desulfuricans ATCC 27774 from Crystallographic and EPR Data and based on detailed analysis of the sixth ligand | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, IRON/SULFUR CLUSTER, MOLYBDENUM ATOM, ... | Authors: | Najmudin, S, Gonzalez, P.J, Trincao, J, Coelho, C, Mukhopadhyay, A, Romao, C.C, Moura, I, Moura, J.J.G, Brondino, C.D, Romao, M.J. | Deposit date: | 2007-06-28 | Release date: | 2008-03-18 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Periplasmic Nitrate Reductase Revisited: A Sulfur Atom Completes the Sixth Coordination of the Catalytic Molybdenum. J.Biol.Inorg.Chem., 13, 2008
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6YSB
| Crystal structure of Malus domestica Double Bond Reductase (MdDBR) apo form | Descriptor: | 2-alkenal reductase (NADP(+)-dependent)-like, SULFATE ION | Authors: | Caliandro, R, Polsinelli, I, Demitri, N, Benini, S. | Deposit date: | 2020-04-21 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | The structural and functional characterization of Malus domestica double bond reductase MdDBR provides insights towards the identification of its substrates. Int.J.Biol.Macromol., 171, 2021
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1Z9N
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6D7T
| Cryo-EM structure of human TRPV6-Y467A in complex with 2-Aminoethoxydiphenyl borate (2-APB) | Descriptor: | 2-aminoethyl diphenylborinate, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6 | Authors: | Singh, A.K, Saotome, K, McGoldrick, L.L, Sobolevsky, A.I. | Deposit date: | 2018-04-25 | Release date: | 2018-07-18 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (4.44 Å) | Cite: | Structural bases of TRP channel TRPV6 allosteric modulation by 2-APB. Nat Commun, 9, 2018
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1JS8
| Structure of a Functional Unit from Octopus Hemocyanin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CU2-O2 CLUSTER, Hemocyanin, ... | Authors: | Cuff, M.E, Miller, K.I, van Holde, K.E, Hendrickson, W.A. | Deposit date: | 2001-08-16 | Release date: | 2001-10-03 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of a functional unit from Octopus hemocyanin. J.Mol.Biol., 278, 1998
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3N1E
| Vps54 C-terminal domain | Descriptor: | GLYCEROL, MAGNESIUM ION, Vacuolar protein sorting-associated protein 54 | Authors: | Perez-Victoria, F.J, Abascal-Palacios, G, Tascon, I, Kajava, A, Pioro, E.P, Bonifacino, J.S, Hierro, A. | Deposit date: | 2010-05-15 | Release date: | 2010-07-14 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.702 Å) | Cite: | Structural basis for the wobbler mouse neurodegenerative disorder caused by mutation in the Vps54 subunit of the GARP complex. Proc.Natl.Acad.Sci.USA, 107, 2010
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4M2L
| Gamma subunit of the translation initiation factor 2 from Sulfolobus solfataricus in nucleotide-free form | Descriptor: | 1,2-ETHANEDIOL, PHOSPHATE ION, SULFATE ION, ... | Authors: | Nikonov, O.S, Stolboushkina, E.A, Arkhipova, V.I, Gabdulkhakov, A.G, Nikulin, A.D, Garber, M.B, Nikonov, S.V. | Deposit date: | 2013-08-05 | Release date: | 2014-03-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.149 Å) | Cite: | Conformational transitions in the gamma subunit of the archaeal translation initiation factor 2. Acta Crystallogr.,Sect.D, 70, 2014
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2ZJO
| Crystal structure of hepatitis C virus NS3 helicase with a novel inhibitor | Descriptor: | Genome polyprotein, N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM | Authors: | Liaw, S.H, Chen, S.J, Hu, C.Y, Chi, W.K, Chu, I.D, Hwang, L.H, Chern, J.W, Chen, D.S. | Deposit date: | 2008-03-07 | Release date: | 2009-03-10 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure-Based Discovery of Triphenylmethane Derivatives as Novel Inhibitors of Hepatitis C Virus Helicase To be Published
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6D95
| Ternary RsAgo Complex with Guide RNA Paired and Target DNA containing A8-A8' Non-Canonical Pair | Descriptor: | DNA 24-Mer, MAGNESIUM ION, RNA (5'-R(P*UP*UP*AP*CP*UP*GP*CP*AP*CP*AP*GP*GP*UP*GP*AP*CP*GP*A)-3'), ... | Authors: | Liu, Y, Esyunina, D, Olovnikov, I, Teplova, M, Patel, D.J. | Deposit date: | 2018-04-27 | Release date: | 2018-08-08 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Accommodation of Helical Imperfections in Rhodobacter sphaeroides Argonaute Ternary Complexes with Guide RNA and Target DNA. Cell Rep, 24, 2018
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6DA2
| Human CYP3A4 bound to an inhibitor | Descriptor: | Cytochrome P450 3A4, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Sevrioukova, I.F. | Deposit date: | 2018-05-01 | Release date: | 2019-04-03 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4. Biochemistry, 58, 2019
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2J6F
| N-TERMINAL SH3 DOMAIN OF CMS (CD2AP HUMAN HOMOLOG) BOUND TO CBL-B PEPTIDE | Descriptor: | CD2-ASSOCIATED PROTEIN, E3 UBIQUITIN-PROTEIN LIGASE CBL-B | Authors: | Moncalian, G, Cardenes, N, Deribe, Y.L, Spinola-Amilibia, M, Dikic, I, Bravo, J. | Deposit date: | 2006-09-28 | Release date: | 2006-10-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Atypical Polyproline Recognition by the Cms N- Terminal SH3 Domain. J.Biol.Chem., 281, 2006
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1SWH
| CORE-STREPTAVIDIN MUTANT W79F AT PH 4.5 | Descriptor: | CORE-STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-01-27 | Release date: | 1999-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. J.Mol.Biol., 279, 1998
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5OQ6
| Structure of CHK1 12-pt. mutant complex with aminopyrimido-benzodiazepinone LRRK2 inhibitor | Descriptor: | 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one, CHLORIDE ION, Serine/threonine-protein kinase Chk1 | Authors: | Dokurno, P, Williamson, D.S, Acheson-Dossang, P, Chen, I, Murray, J.B, Shaw, T, Surgenor, A.E. | Deposit date: | 2017-08-10 | Release date: | 2017-10-25 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Design of Leucine-Rich Repeat Kinase 2 (LRRK2) Inhibitors Using a Crystallographic Surrogate Derived from Checkpoint Kinase 1 (CHK1). J. Med. Chem., 60, 2017
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1SWQ
| CORE-STREPTAVIDIN MUTANT W120A AT PH 7.5 | Descriptor: | CORE-STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-01-27 | Release date: | 1999-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. J.Mol.Biol., 279, 1998
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1SWJ
| CORE-STREPTAVIDIN MUTANT W79F AT PH 4.5 | Descriptor: | CORE-STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-01-27 | Release date: | 1999-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. J.Mol.Biol., 279, 1998
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1ZGB
| Crystal Structure of Torpedo Californica Acetylcholinesterase in Complex With an (R)-Tacrine(10)-Hupyridone Inhibitor. | Descriptor: | (5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, Acetylcholinesterase | Authors: | Haviv, H, Wong, D.M, Greenblatt, H.M, Carlier, P.R, Pang, Y.P, Silman, I, Sussman, J.L, Israel Structural Proteomics Center (ISPC) | Deposit date: | 2005-04-21 | Release date: | 2005-08-16 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Packing Mediates Enantioselective Ligand Recognition at the Peripheral Site of Acetylcholinesterase J.Am.Chem.Soc., 127, 2005
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1SWO
| CORE-STREPTAVIDIN MUTANT W120F AT PH 7.5 | Descriptor: | CORE-STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-01-27 | Release date: | 1999-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. J.Mol.Biol., 279, 1998
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2W5E
| Structural and biochemical analysis of human pathogenic astrovirus serine protease at 2.0 Angstrom resolution | Descriptor: | CADMIUM ION, CHLORIDE ION, PUTATIVE SERINE PROTEASE | Authors: | Speroni, S, Rohayem, J, Nenci, S, Bonivento, D, Robel, I, Barthel, J, Coutard, B, Canard, B, Mattevi, A. | Deposit date: | 2008-12-10 | Release date: | 2009-03-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Biochemical Analysis of Human Pathogenic Astrovirus Serine Protease at 2.0 A Resolution. J.Mol.Biol., 387, 2009
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1SWL
| CORE-STREPTAVIDIN MUTANT W108F AT PH 7.0 | Descriptor: | CORE-STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Chilkoti, A, Klumb, L.A, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1998-01-27 | Release date: | 1999-02-09 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural studies of binding site tryptophan mutants in the high-affinity streptavidin-biotin complex. J.Mol.Biol., 279, 1998
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1SWD
| APO-CORE-STREPTAVIDIN IN COMPLEX WITH BIOTIN (TWO UNOCCUPIED BINDING SITES) AT PH 4.5 | Descriptor: | BIOTIN, STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Klumb, L, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1997-03-04 | Release date: | 1998-03-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural studies of the streptavidin binding loop. Protein Sci., 6, 1997
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5DUI
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1SWE
| APO-CORE-STREPTAVIDIN IN COMPLEX WITH BIOTIN AT PH 4.5 | Descriptor: | BIOTIN, STREPTAVIDIN | Authors: | Freitag, S, Le Trong, I, Klumb, L, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 1997-03-04 | Release date: | 1998-03-04 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (2.06 Å) | Cite: | Structural studies of the streptavidin binding loop. Protein Sci., 6, 1997
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