3FFP
 
 | | X ray structure of the complex between carbonic anhydrase II and LC inhibitors | | Descriptor: | 2-(1,3-thiazol-4-yl)-1H-benzimidazole-5-sulfonamide, BENZOIC ACID, Carbonic anhydrase 2, ... | | Authors: | Temperini, C, Crocetti, L, Scozzafava, A, Supuran, C.T. | | Deposit date: | 2008-12-04 | | Release date: | 2009-08-18 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A thiabendazole sulfonamide shows potent inhibitory activity against mammalian and nematode alpha-carbonic anhydrases
Bioorg.Med.Chem.Lett., 19, 2009
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7FXU
 | | Crystal Structure of human FABP4 in complex with 2-[[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid, i.e. SMILES C1(=C(C)C(=C(S1)NC(=O)C1=C(CCC1)C(=O)O)C1=NC(=NO1)C1CC1)C with IC50=0.00967858 microM | | Descriptor: | 2-{[(3M)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylthiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, FORMIC ACID, ... | | Authors: | Ehler, A, Benz, J, Obst, U, Richter, H, Rudolph, M.G. | | Deposit date: | 2023-04-27 | | Release date: | 2023-06-14 | | Last modified: | 2025-08-13 | | Method: | X-RAY DIFFRACTION (1.96 Å) | | Cite: | A high-resolution data set of fatty acid-binding protein structures. III. Unexpectedly high occurrence of wrong ligands.
Acta Crystallogr D Struct Biol, 81, 2025
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4NED
 | | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, ... | | Authors: | Gautam, L, Dube, D, Sinha, M, Kaur, P, Sharma, S, Singh, T.P. | | Deposit date: | 2013-10-29 | | Release date: | 2013-12-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal STRUCTURE OF C-LOBE OF BOVINE LACTOFERRIN COMPLEXED WITH FENOPROFEN AT 2.1 ANGSTROM RESOLUTION
To be Published
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3IRC
 | | Crystal structure analysis of dengue-1 envelope protein domain III | | Descriptor: | ENVELOPE PROTEIN, SULFATE ION | | Authors: | Nelson, C.A, Kim, T, Warren, J.T, Chruszcz, M, Minor, W, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2009-08-21 | | Release date: | 2009-09-29 | | Last modified: | 2024-11-27 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Crystal Structure Analysis of the Dengue-1 Envelope Protein Domain III
To be Published
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6N82
 | | Crystal structure of human FPPS in complex with an allosteric inhibitor YF-02037 | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Farnesyl pyrophosphate synthase, ... | | Authors: | Park, J, Schilling, M.A, Berghuis, A.M. | | Deposit date: | 2018-11-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Chirality-Driven Mode of Binding of alpha-Aminophosphonic Acid-Based Allosteric Inhibitors of the Human Farnesyl Pyrophosphate Synthase (hFPPS).
J.Med.Chem., 62, 2019
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1Z7N
 | | ATP Phosphoribosyl transferase (HisZG ATP-PRTase) from Lactococcus lactis with bound PRPP substrate | | Descriptor: | 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose, ATP phosphoribosyltransferase, ATP phosphoribosyltransferase regulatory subunit, ... | | Authors: | Champagne, K.S, Sissler, M, Larrabee, Y, Doublie, S, Francklyn, C.S. | | Deposit date: | 2005-03-25 | | Release date: | 2005-08-09 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Activation of the hetero-octameric ATP phosphoribosyl transferase through subunit interface rearrangement by a tRNA synthetase paralog.
J.Biol.Chem., 280, 2005
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4EJ8
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4RX2
 | | A triple mutant in the omega-loop of TEM-1 beta-lactamase changes the substrate profile via a large conformational change and an altered general base for catalysis | | Descriptor: | Beta-lactamase TEM, SULFATE ION | | Authors: | Stojanoski, V, Chow, D, Hu, L, Sankaran, B, Gilbert, H, Prasad, B.V.V, Palzkill, T. | | Deposit date: | 2014-12-08 | | Release date: | 2015-03-04 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.315 Å) | | Cite: | A Triple Mutant in the Omega-loop of TEM-1 beta-Lactamase Changes the Substrate Profile via a Large Conformational Change and an Altered General Base for Catalysis.
J.Biol.Chem., 290, 2015
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1NLF
 | | Crystal Structure of DNA Helicase RepA in complex with sulfate at 1.95 A resolution | | Descriptor: | Regulatory protein repA, SULFATE ION | | Authors: | Xu, H, Strater, N, Schroeder, W, Bottcher, C, Ludwig, K, Saenger, W. | | Deposit date: | 2003-01-07 | | Release date: | 2003-04-29 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structure of DNA helicase RepA in complex with sulfate at 1.95 A resolution implicates structural changes to an "open" form.
Acta Crystallogr.,Sect.D, 59, 2003
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3TM8
 | | Bd1817, a HDG"Y"P protein from Bdellovibrio bacteriovorus | | Descriptor: | 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, FE (III) ION, ... | | Authors: | Lovering, A.L. | | Deposit date: | 2011-08-31 | | Release date: | 2011-10-19 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | The structure of an unconventional HD-GYP protein from Bdellovibrio reveals the roles of conserved residues in this class of cyclic-di-GMP phosphodiesterases.
MBio, 2, 2011
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1UZF
 | | Complex of the anti-hypertensive drug captopril an the human testicular angiotensin I-converting enzyme | | Descriptor: | 1-(3-MERCAPTO-2-METHYL-PROPIONYL)-PYRROLIDINE-2-CARBOXYLIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ANGIOTENSIN CONVERTING ENZYME, ... | | Authors: | Natesh, R, Schwager, S.L.U, Evans, H.R, Sturrock, E.D, Acharya, K.R. | | Deposit date: | 2004-03-11 | | Release date: | 2004-07-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Details on the Binding of Antihypertensive Drugs Captopril and Enalaprilat to Human Testicular Angiotensin I-Converting Enzyme
Biochemistry, 43, 2004
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5ORP
 | | Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment | | Descriptor: | 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ... | | Authors: | McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-01 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
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1C96
 | | S642A:CITRATE COMPLEX OF ACONITASE | | Descriptor: | CITRATE ANION, IRON/SULFUR CLUSTER, MITOCHONDRIAL ACONITASE, ... | | Authors: | Lloyd, S.J, Lauble, H, Prasad, G.S, Stout, C.D. | | Deposit date: | 1999-07-31 | | Release date: | 1999-08-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | The mechanism of aconitase: 1.8 A resolution crystal structure of the S642a:citrate complex.
Protein Sci., 8, 1999
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4EUS
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4O16
 | | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors | | Descriptor: | 1,2-ETHANEDIOL, 6-({4-[(3,5-difluorophenyl)sulfonyl]benzyl}carbamoyl)-1-(5-O-phosphono-beta-D-ribofuranosyl)imidazo[1,2-a]pyridin-1-ium, Nicotinamide phosphoribosyltransferase, ... | | Authors: | Oh, A, Coons, M, Brillantes, B, Wang, W. | | Deposit date: | 2013-12-15 | | Release date: | 2014-10-22 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors.
Plos One, 9, 2014
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1SJN
 | | Mycobacterium tuberculosis dUTPase complexed with magnesium and alpha,beta-imido-dUTP | | Descriptor: | 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Deoxyuridine 5'-triphosphate nucleotidohydrolase, ... | | Authors: | Sawaya, M.R, Chan, S, Segelke, B, Lekin, T, Krupka, H, Cho, U.S, Kim, M.-Y, So, M, Kim, C.-Y, Naranjo, C.M, Rogers, Y.C, Park, M.S, Waldo, G.S, Pashkov, I, Cascio, D, Yeates, T.O, Perry, J.L, Terwilliger, T.C, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-03-04 | | Release date: | 2004-03-09 | | Last modified: | 2024-12-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal structure of the Mycobacterium tuberculosis dUTPase: insights into the catalytic mechanism.
J.Mol.Biol., 341, 2004
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2ZQ3
 | | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.6 angstroms resolution | | Descriptor: | Lysozyme C, SODIUM ION | | Authors: | Aibara, S, Suzuki, A, Kidera, A, Shibata, K, Hirose, M. | | Deposit date: | 2008-08-03 | | Release date: | 2008-09-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | The crystal structure of the orthorhombic form of hen egg white lysozyme at 1.5 angstroms resolution
To be Published
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3IAD
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2B4L
 | | Crystal structure of the binding protein OpuAC in complex with glycine betaine | | Descriptor: | 1,2-ETHANEDIOL, Glycine betaine-binding protein, TRIMETHYL GLYCINE | | Authors: | Horn, C, Sohn-Boesser, L, Breed, J, Welte, W, Schmitt, L, Bremer, E. | | Deposit date: | 2005-09-26 | | Release date: | 2006-03-21 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Molecular Determinants for Substrate Specificity of the Ligand-binding Protein OpuAC from Bacillus subtilis for the Compatible Solutes Glycine Betaine and Proline Betaine.
J.Mol.Biol., 357, 2006
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1EB6
 | | Deuterolysin from Aspergillus oryzae | | Descriptor: | 1,2-ETHANEDIOL, NEUTRAL PROTEASE II, ZINC ION | | Authors: | McAuley, K.E, Jia-Xing, Y, Dodson, E.J, Lehmbeck, J, Ostergaard, P.R, Wilson, K.S. | | Deposit date: | 2001-07-19 | | Release date: | 2001-11-23 | | Last modified: | 2025-10-01 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | A Quick Solution: Ab Initio Structure Determination of a 19 kDa Metalloproteinase Using Acorn
Acta Crystallogr.,Sect.D, 57, 2001
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3U8E
 | | Crystal Structure of Cysteine Protease from Bulbs of Crocus sativus at 1.3 A Resolution | | Descriptor: | GLYCEROL, Papain-like Cysteine Protease, SODIUM ION, ... | | Authors: | Iqbal, S, Akrem, A, Buck, F, Perbandt, M, Banumathi, S, Betzel, C. | | Deposit date: | 2011-10-17 | | Release date: | 2011-10-26 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.31 Å) | | Cite: | Crystal Structure of A Papain-like Cysteine Protease from Bulbs of Crocus sativum at 1.3 A resolution
To be Published
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3IHF
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1NAR
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5W2I
 | | Crystal structure of the core catalytic domain of human inositol phosphate multikinase soaked with C4-analogue of PtdIns(4,5)P2 and ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE, Inositol polyphosphate multikinase,Inositol polyphosphate multikinase, ... | | Authors: | Wang, H, Shears, S.B. | | Deposit date: | 2017-06-06 | | Release date: | 2017-09-13 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Structural features of human inositol phosphate multikinase rationalize its inositol phosphate kinase and phosphoinositide 3-kinase activities.
J. Biol. Chem., 292, 2017
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4EHM
 | | RabGGTase in complex with covalently bound Psoromic acid | | Descriptor: | 4-formyl-3-hydroxy-8-methoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepine-6-carboxylic acid, CALCIUM ION, Geranylgeranyl transferase type-2 subunit alpha, ... | | Authors: | Guo, Z, Deraeve, C, Bon, R.S, Alexandrov, K, Waldmann, H, Wu, Y.W, Goody, R.S, Blankenfeldt, W. | | Deposit date: | 2012-04-02 | | Release date: | 2012-05-30 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Psoromic Acid is a Selective and Covalent Rab-Prenylation Inhibitor Targeting Autoinhibited RabGGTase
J.Am.Chem.Soc., 134, 2012
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