4KX6
 
 | | Plasticity of the quinone-binding site of the complex II homolog quinol:fumarate reductase | | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Singh, P.K, Sarwar, M, Maklashina, E, Kotlyar, V, Rajagukguk, S, Tomasiak, T.M, Cecchini, G, Iverson, T.M. | | Deposit date: | 2013-05-24 | | Release date: | 2013-07-17 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Plasticity of the Quinone-binding Site of the Complex II Homolog Quinol:Fumarate Reductase.
J.Biol.Chem., 288, 2013
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1NQP
 | | Crystal structure of Human hemoglobin E at 1.73 A resolution | | Descriptor: | CYANIDE ION, Hemoglobin alpha chain, Hemoglobin beta chain, ... | | Authors: | Dasgupta, J, Sen, U, Choudhury, D, Dutta, P, Basu, S, Chakrabarti, A, Chakrabarty, A, Dattagupta, J.K. | | Deposit date: | 2003-01-22 | | Release date: | 2004-03-02 | | Last modified: | 2023-08-16 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Crystallization and preliminary X-ray structural Studies of Hemoglobin A2 and Hemoglobin E, isolated from the blood samples of Beta-thalassemic patients
Biochem.Biophys.Res.Commun., 303, 2004
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6ZYG
 | | Emfourin (M4in) from Serratia proteamaculans, M4 family peptidase inhibitor | | Descriptor: | Protealysin-associated protein | | Authors: | Bozin, T.N, Chukhontseva, K.N, Konarev, P.V, Bocharov, E.V, Demidyuk, I.V. | | Deposit date: | 2020-07-31 | | Release date: | 2021-08-18 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR, SOLUTION SCATTERING | | Cite: | NMR structure of emfourin, a novel metalloprotease inhibitor
To Be Published
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2BMB
 | | X-ray structure of the bifunctional 6-hydroxymethyl-7,8- dihydroxypterin pyrophosphokinase dihydropteroate synthase from Saccharomyces cerevisiae | | Descriptor: | FOLIC ACID SYNTHESIS PROTEIN FOL1, PTERIN-6-YL-METHYL-MONOPHOSPHATE | | Authors: | Lawrence, M.C, Iliades, P, Fernley, R.T, Berglez, J, Pilling, P.A, Macreadie, I.G. | | Deposit date: | 2005-03-11 | | Release date: | 2006-01-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | The Three-Dimensional Structure of the Bifunctional 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase/Dihydropteroate Synthase of Saccharomyces Cerevisiae
J.Mol.Biol., 348, 2005
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4DLA
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3S32
 | | Crystal structure of Ash2L N-terminal domain | | Descriptor: | Set1/Ash2 histone methyltransferase complex subunit ASH2, ZINC ION | | Authors: | Sarvan, S, Avdic, V, Tremblay, V, Chaturvedi, C.-P, Zhang, P, Lanouette, S, Blais, A, Brunzelle, J.S, Brand, M, Couture, J.-F. | | Deposit date: | 2011-05-17 | | Release date: | 2011-06-08 | | Last modified: | 2012-01-11 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal structure of the trithorax group protein ASH2L reveals a forkhead-like DNA binding domain.
Nat.Struct.Mol.Biol., 18, 2011
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1E9J
 | | SOLUTION STRUCTURE OF THE A-SUBUNIT OF HUMAN CHORIONIC GONADOTROPIN [INCLUDING A SINGLE GLCNAC RESIDUE AT ASN52 AND ASN78] | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CHORIONIC GONADOTROPIN | | Authors: | Erbel, P.J.A, Karimi-Nejad, Y, van Kuik, J.A, Boelens, R, Kamerling, J.P, Vliegenthart, J.F.G. | | Deposit date: | 2000-10-18 | | Release date: | 2002-07-25 | | Last modified: | 2020-07-29 | | Method: | SOLUTION NMR | | Cite: | Effects of the N-linked glycans on the 3D structure of the free alpha-subunit of human chorionic gonadotropin.
Biochemistry, 39, 2000
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3GSQ
 | | Crystal structure of the binary complex between HLA-A2 and HCMV NLV-M5S peptide variant | | Descriptor: | Beta-2-microglobulin, HCMV pp65 fragment 495-503, variant M5S (NLVPSVATV), ... | | Authors: | Reiser, J.-B, Saulquin, X, Gras, S, Debeaupuis, E, Echasserieau, K, Kissenpfennig, A, Legoux, F, Chouquet, A, Le Gorrec, M, Machillot, P, Neveu, B, Thielens, N, Malissen, B, Bonneville, M, Housset, D. | | Deposit date: | 2009-03-27 | | Release date: | 2009-08-04 | | Last modified: | 2021-10-20 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural bases for the affinity-driven selection of a public TCR against a dominant human cytomegalovirus epitope.
J.Immunol., 183, 2009
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2BOJ
 | | crystal Structure of pseudomonas aeruginosa lectin (PA-IIL) complexed with methyl-B-D-Arabinopyranoside | | Descriptor: | CALCIUM ION, PSEUDOMONAS AERUGINOSA LECTIN II, SULFATE ION, ... | | Authors: | Sabin, C.D, Mitchell, E.P, Wimmerova, M, Imberty, A. | | Deposit date: | 2005-04-12 | | Release date: | 2006-02-22 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of Different Monosaccharides by Lectin Pa-Iil from Pseudoman Aeruginosa: Thermodynamics Data Correlated with X-Ray Structures.
FEBS Lett., 580, 2006
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1WOA
 | | Structure of the loop6 hinge mutant of Plasmodium falciparum Triosephosphate Isomerase, W168F, complexed with Glycerol-2-phosphate | | Descriptor: | 2-HYDROXY-1-(HYDROXYMETHYL)ETHYL DIHYDROGEN PHOSPHATE, Triosephosphate isomerase | | Authors: | Eaazhisai, K, Balaram, H, Balaram, P, Murthy, M.R.N. | | Deposit date: | 2004-08-12 | | Release date: | 2004-10-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structures of Unliganded and Inhibitor Complexes of W168F, a Loop6 Hinge Mutant of Plasmodium falciparum Triosephosphate Isomerase: Observation of an Intermediate Position of Loop6
J.Mol.Biol., 343, 2004
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2BUS
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7A2F
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656 | | Descriptor: | 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, FORMIC ACID, GLYCEROL, ... | | Authors: | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | | Deposit date: | 2020-08-17 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
To be published
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4LBR
 | | Crystal structure of human AR complexed with NADP+ and {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-chloro-2-[(2,6-difluoro-4-iodobenzyl)carbamoyl]phenoxy}acetic acid | | Authors: | Cousido-Siah, A, Mitschler, A, Ruiz, F.X, Fanfrlik, J, Kolar, M, Hobza, P, Podjarny, A. | | Deposit date: | 2013-06-21 | | Release date: | 2014-04-30 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (0.8 Å) | | Cite: | Modulation of aldose reductase inhibition by halogen bond tuning.
Acs Chem.Biol., 8, 2013
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7A28
 | | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617 | | Descriptor: | 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G. | | Deposit date: | 2020-08-16 | | Release date: | 2021-08-25 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
To be published
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2BYP
 | | Crystal structure of Aplysia californica AChBP in complex with alpha- conotoxin ImI | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-CONOTOXIN IMI, SOLUBLE ACETYLCHOLINE RECEPTOR | | Authors: | Hansen, S.B, Sulzenbacher, G, Huxford, T, Marchot, P, Taylor, P, Bourne, Y. | | Deposit date: | 2005-08-03 | | Release date: | 2005-10-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structures of Aplysia Achbp Complexes with Nicotinic Agonists and Antagonists Reveal Distinctive Binding Interfaces and Conformations.
Embo J., 24, 2005
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3PNI
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2C1B
 | | Structure of cAMP-dependent protein kinase complexed with (4R,2S)-5'-(4-(4-Chlorobenzyloxy)pyrrolidin-2-ylmethanesulfonyl)isoquinoline | | Descriptor: | (4R,2S)-5'-(4-(4-CHLOROBENZYLOXY)PYRROLIDIN-2-YLMETHANESULFONYL)ISOQUINOLINE, CAMP-DEPENDENT PROTEIN KINASE, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR | | Authors: | Collins, I, Caldwell, J, Fonseca, T, Donald, A, Bavetsias, V, Hunter, L.J, Garrett, M.D, Rowlands, M.G, Aherne, G.W, Davies, T.G, Berdini, V, Woodhead, S.J, Seavers, L.C.A, Wyatt, P.G, Workman, P, McDonald, E. | | Deposit date: | 2005-09-12 | | Release date: | 2005-11-02 | | Last modified: | 2018-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structure-based design of isoquinoline-5-sulfonamide inhibitors of protein kinase B.
Bioorg. Med. Chem., 14, 2006
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4L7T
 | | B. fragilis NanU | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, NanU sialic acid binding protein, ... | | Authors: | Rafferty, J.B, Phansopa, C, Stafford, G.P. | | Deposit date: | 2013-06-14 | | Release date: | 2014-01-01 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | Structural and functional characterization of NanU, a novel high-affinity sialic acid-inducible binding protein of oral and gut-dwelling Bacteroidetes species.
Biochem.J., 458, 2014
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3H5C
 | | X-Ray Structure of Protein Z-Protein Z Inhibitor Complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Protein Z-dependent protease inhibitor, Vitamin K-dependent protein Z, ... | | Authors: | Dementiev, A.A, Huang, X, Olson, S.T, Gettins, P.G.W. | | Deposit date: | 2009-04-21 | | Release date: | 2010-04-28 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.26 Å) | | Cite: | Basis for the specificity and activation of the serpin protein Z-dependent proteinase inhibitor (ZPI) as an inhibitor of membrane-associated factor Xa.
J.Biol.Chem., 285, 2010
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4BIA
 | | Crystal structure of SCP2 thiolase from Trypanosoma brucei: The C337A mutant. | | Descriptor: | 3-KETOACYL-COA THIOLASE, PUTATIVE | | Authors: | Harijan, R.K, Kiema, T.-R, Weiss, M.S, Michels, P.A.M, Wierenga, R.K. | | Deposit date: | 2013-04-10 | | Release date: | 2013-08-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal Structures of Scp2-Thiolases of Trypanosomatidae, Human Pathogens Causing Widespread Tropical Diseases: The Importance for Catalysis of the Cysteine of the Unique Hdcf Loop.
Biochem.J., 455, 2013
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2YA9
 | | Crystal structure of the autoinhibited form of mouse DAPK2 | | Descriptor: | (4S,5S)-1,2-DITHIANE-4,5-DIOL, CALCIUM ION, DEATH-ASSOCIATED PROTEIN KINASE 2 | | Authors: | Patel, A.K, Kursula, P. | | Deposit date: | 2011-02-18 | | Release date: | 2011-04-13 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of the Dimeric Autoinhibited Conformation of Dapk2, a Pro-Apoptotic Protein Kinase.
J.Mol.Biol., 409, 2011
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3H9F
 | | Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand | | Descriptor: | 9-cyclopentyl-2-(4-(4-hydroxypiperidin-1-yl)-2-methoxyphenylamino)-5-methyl-8,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepin -6(7H)-one, Dual specificity protein kinase TTK, MAGNESIUM ION | | Authors: | Filippakopoulos, P, Soundararajan, M, Keates, T, Elkins, J.M, King, O, Fedorov, O, Picaud, S.S, Pike, A.C.W, Yue, W, Chaikuad, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Weigelt, J, Bountra, C, Kwiatkowski, N, Gray, N.S, Knapp, S, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-04-30 | | Release date: | 2009-05-19 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.
Nat.Chem.Biol., 6, 2010
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1IG8
 | | Crystal Structure of Yeast Hexokinase PII with the correct amino acid sequence | | Descriptor: | SULFATE ION, hexokinase PII | | Authors: | Kuser, P.R, Krauchenco, S, Antunes, O.A, Polikarpov, I. | | Deposit date: | 2001-04-17 | | Release date: | 2001-05-02 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | The high resolution crystal structure of yeast hexokinase PII with the correct primary sequence provides new insights into its mechanism of action.
J.Biol.Chem., 275, 2000
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1QDP
 | | SOLUTION STRUCTURE OF ROBUSTOXIN, THE LETHAL NEUROTOXIN FROM THE FUNNEL WEB SPIDER ATRAX ROBUSTUS, NMR, 20 STRUCTURES | | Descriptor: | ROBUSTOXIN | | Authors: | Pallaghy, P.K, Alewood, D, Alewood, P.F, Norton, R.S. | | Deposit date: | 1997-10-09 | | Release date: | 1998-01-14 | | Last modified: | 2022-03-02 | | Method: | SOLUTION NMR | | Cite: | Solution structure of robustoxin, the lethal neurotoxin from the funnel-web spider Atrax robustus.
FEBS Lett., 419, 1997
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4PBR
 | | Crystal structure of the M. jannaschii G2 tRNA synthetase variant bound to 4-(2-bromoisobutyramido)-phenylalanine (BibaF) | | Descriptor: | 4-[(2-bromo-2-methylpropanoyl)amino]-L-phenylalanine, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Cooley, R.B, Karplus, P.A, Mehl, R.A. | | Deposit date: | 2014-04-13 | | Release date: | 2014-07-23 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Gleaning Unexpected Fruits from Hard-Won Synthetases: Probing Principles of Permissivity in Non-canonical Amino Acid-tRNA Synthetases.
Chembiochem, 15, 2014
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