2XGD
| Crystal structure of a designed homodimeric variant T-A(L)A(L) of the tetracycline repressor | Descriptor: | CHLORIDE ION, TETRACYCLINE REPRESSOR PROTEIN CLASS B FROM TRANSPOSON TN10, TETRACYCLINE REPRESSOR PROTEIN CLASS D | Authors: | Stiebritz, M.T, Wengrzik, S, Richter, J.P, Muller, Y.A. | Deposit date: | 2010-06-03 | Release date: | 2010-09-22 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Computational Design of a Chain-Specific Tetracycline Repressor Heterodimer. J.Mol.Biol., 403, 2010
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4Y4F
| Crystal structure of the mCD1d/GCK127/iNKTCR ternary complex | Descriptor: | (1R)-1,5-anhydro-1-[(1E,3S,4S,5R)-4,5-dihydroxy-3-(nonacosanoylamino)nonadec-1-en-1-yl]-D-galactitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Zajonc, D.M, Yu, E.D. | Deposit date: | 2015-02-10 | Release date: | 2015-05-27 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | Structural modifications of alphaGalCer in both lipid and carbohydrate moiety influence activation of murine and human iNKT cells To Be Published
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2XGQ
| Structure of yeast DNA polymerase eta in complex with C8-N-acetyl-2- aminoanthracene containing DNA | Descriptor: | 5'-D(*CP*8AG*CP*TP*CP*AP*TP*CP*CP*AP*C)-3', 5'-D(*GP*TP*GP*GP*AP*TP*GP*AP*G)-3', CALCIUM ION, ... | Authors: | Schneider, S, Schorr, S, Carell, T. | Deposit date: | 2010-06-07 | Release date: | 2010-11-03 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Mechanism of Replication Blocking and Bypass of Y-Family Polymerase Eta by Bulky Acetylaminofluorene DNA Adducts. Proc.Natl.Acad.Sci.USA, 107, 2010
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6AUY
| Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-Methyl-6-(3-(3-(methylamino)propyl)phenethyl)pyridin-2-amine | Descriptor: | 4-methyl-6-(2-{3-[3-(methylamino)propyl]phenyl}ethyl)pyridin-2-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, GLYCEROL, ... | Authors: | Li, H, Poulos, T.L. | Deposit date: | 2017-09-01 | Release date: | 2018-07-11 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Improvement of Cell Permeability of Human Neuronal Nitric Oxide Synthase Inhibitors Using Potent and Selective 2-Aminopyridine-Based Scaffolds with a Fluorobenzene Linker. J. Med. Chem., 60, 2017
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4Y50
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4IAW
| Engineered human lipocalin 2 (C26) in complex with Y-DTPA | Descriptor: | N-{(1S,2S)-2-[bis(carboxymethyl)amino]cyclohexyl}-N-{(2R)-2-[bis(carboxymethyl)amino]-3-[4-({[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioyl}amino)phenyl]propyl}glycine, Neutrophil gelatinase-associated lipocalin, YTTRIUM (III) ION | Authors: | Eichinger, A, Skerra, A. | Deposit date: | 2012-12-07 | Release date: | 2013-06-19 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided engineering of Anticalins with improved binding behavior and biochemical characteristics for application in radio-immuno imaging and/or therapy J.Struct.Biol., 185, 2014
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2FU7
| Zinc-beta-lactamase L1 from stenotrophomonas maltophilia (Cu-substituted form) | Descriptor: | 1,10-PHENANTHROLINE, COPPER (II) ION, GLYCEROL, ... | Authors: | Nauton, L, Garau, G, Kahn, R, Dideberg, O. | Deposit date: | 2006-01-26 | Release date: | 2007-01-30 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural insights into the design of inhibitors for the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia. J.Mol.Biol., 375, 2008
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2XLP
| Joint-functions of protein residues and NADP(H) in oxygen-activation by flavin-containing monooxygenase: Asn78Ser mutant | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Orru, R, Fraaije, M.W, Mattevi, A. | Deposit date: | 2010-07-21 | Release date: | 2010-09-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Joint functions of protein residues and NADP(H) in oxygen activation by flavin-containing monooxygenase. J. Biol. Chem., 285, 2010
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6AVT
| STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE (RT) TERNARY COMPLEX WITH A DOUBLE STRANDED DNA AND AN INCOMING D4TTP AT PH 9.5 WITH CROSS-LINKING TO FIRST BASE TEMPLATE OVERHANG | Descriptor: | 2',3'-DEHYDRO-2',3'-DEOXY-THYMIDINE 5'-TRIPHOSPHATE, DNA (27-MER), DNA (5'-D(*A*CP*AP*GP*TP*CP*CP*CP*TP*GP*TP*TP*CP*GP*GP*GP*CP*GP*CP*CP*(DDG))-3'), ... | Authors: | Martinez, S.E, Das, K, Arnold, E. | Deposit date: | 2017-09-04 | Release date: | 2018-08-15 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.603 Å) | Cite: | Structure of HIV-1 reverse transcriptase/d4TTP complex: Novel DNA cross-linking site and pH-dependent conformational changes. Protein Sci., 28, 2019
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3DQJ
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2XBS
| Raman crystallography of Hen White Egg Lysozyme - High X-ray dose (16 MGy) | Descriptor: | CHLORIDE ION, LYSOZYME C | Authors: | Carpentier, P, Royant, A, Weik, M, Bourgeois, D. | Deposit date: | 2010-04-14 | Release date: | 2010-11-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Raman Assisted Crystallography Reveals a Mechanism of X-Ray Induced Reversible Disulfide Radical Formation Structure, 18, 2010
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1M00
| Rat neuronal NOS heme domain with N-butyl-N'-hydroxyguanidine bound | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-BUTYL-N'-HYDROXYGUANIDINE, ... | Authors: | Li, H, Shimizu, H, Flinspach, M, Jamal, J, Yang, W, Xian, M, Cai, T, Wen, E.Z, Jia, Q, Wang, P.G, Poulos, T.L. | Deposit date: | 2002-06-11 | Release date: | 2002-11-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | The Novel Binding Mode of N-Alkyl-N'-Hydroxyguanidine to Neuronal Nitric Oxide
Synthase Provides Mechanistic Insights into NO Biosynthesis Biochemistry, 41, 2002
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5BNS
| E. coli Fabh with small molecule inhibitor 2 | Descriptor: | 1-{5-[2-fluoro-5-(hydroxymethyl)phenyl]pyridin-2-yl}-N-(quinolin-6-ylmethyl)piperidine-4-carboxamide, 3-oxoacyl-[acyl-carrier-protein] synthase 3 | Authors: | Kazmirski, S.L, McKinney, D.C. | Deposit date: | 2015-05-26 | Release date: | 2016-05-18 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Antibacterial FabH Inhibitors with Mode of Action Validated in Haemophilus influenzae by in Vitro Resistance Mutation Mapping. Acs Infect Dis., 2, 2016
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6B03
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2XC9
| BINARY COMPLEX OF SULFOLOBUS SOLFATARICUS DPO4 DNA POLYMERASE AND 1, N2-ETHENOGUANINE MODIFIED DNA, MAGNESIUM FORM | Descriptor: | 5'-D(*GP*GP*GP*GP*GP*AP*AP*GP*GP*AP*TP*TP*CP*G)-3', 5'-D(*TP*CP*AP*CP*GNEP*GP*AP*AP*TP*CP*CP*TP*TP* CP*CP*CP*CP*C)-3', DNA POLYMERASE IV | Authors: | Irimia, A, Loukachevitch, L.V, Egli, M. | Deposit date: | 2010-04-20 | Release date: | 2010-09-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Metal Ion Dependence of the Active Site Conformation of the Trans-Lesion DNA Polymerase Dpo4 from Sulfolobus Solfataricus Acta Crystallogr.,Sect.F, 66, 2010
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3DV0
| Snapshots of catalysis in the E1 subunit of the pyruvate dehydrogenase multi-enzyme complex | Descriptor: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-3-METHYLTHIOPHEN-2-YL}ETHYL TRIHYDROGEN DIPHOSPHATE, Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, MAGNESIUM ION, ... | Authors: | Pei, X.Y, Titman, C.M, Frank, R.A.W, Leeper, F.J, Luisi, B.F. | Deposit date: | 2008-07-18 | Release date: | 2009-01-13 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multienzyme complex Structure, 16, 2008
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4HXG
| Pyrococcus horikoshii acylaminoacyl peptidase (orthorhombic crystal form) | Descriptor: | CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ... | Authors: | Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V. | Deposit date: | 2012-11-09 | Release date: | 2013-05-08 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION. J.Biol.Chem., 288, 2013
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3DQI
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5BPO
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6BD9
| Saccharomyces cerevisiae acetohydroxyacid synthase | Descriptor: | Acetolactate synthase catalytic subunit, mitochondrial, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Guddat, L.W, Lonhienne, T. | Deposit date: | 2017-10-22 | Release date: | 2017-11-08 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.982 Å) | Cite: | High resolution crystal structures of the acetohydroxyacid synthase-pyruvate complex provide new insights into its catalytic mechanism Chemistryselect, 2017
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1M5I
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3DQU
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2XEY
| Crystal structure of checkpoint kinase 1 (Chk1) in complex with inhibitors | Descriptor: | 3-(1H-INDOL-3-YL)-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE, SERINE/THREONINE-PROTEIN KINASE CHK1 | Authors: | Matthews, T.P, McHardy, T, Klair, S, Boxall, K, Fisher, M, Cherry, M, Allen, C.E, Addison, G.J, Ellard, J, Aherne, G.W, Westwood, I.M, van Montfort, R, Garrett, M.D, Reader, J.C, Collins, I. | Deposit date: | 2010-05-19 | Release date: | 2010-06-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Design and Evaluation of 3,6-Di(Hetero)Aryl Imidazo[1,2-A]Pyrazines as Inhibitors of Checkpoint and Other Kinases. Bioorg.Med.Chem.Lett., 20, 2010
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5BQY
| Crystal structure of hemagglutinin of A/Chicken/Guangdong/S1311/2010 (H6N6) in complex with avian-like receptor LSTa | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Ni, F, Kondrashkina, E, Wang, Q. | Deposit date: | 2015-05-29 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Structural and Functional Studies of Influenza Virus A/H6 Hemagglutinin. Plos One, 7, 2015
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4Y9X
| Crystal structure of glucosyl-3-phosphoglycerate synthase from Mycobacterium tuberculosis in complex with Mn2+, uridine-diphosphate-glucose (UDP-Glc) and phosphoglyceric acid (PGA) - GpgS Mn2+ UDP-Glc PGA-3 | Descriptor: | 1,2-ETHANEDIOL, 3-PHOSPHOGLYCERIC ACID, CHLORIDE ION, ... | Authors: | Albesa-Jove, D, Rodrigo-Unzueta, A, Cifuente, J.O, Urresti, S, Comino, N, Sancho-Vaello, E, Guerin, M.E. | Deposit date: | 2015-02-17 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.637 Å) | Cite: | A Native Ternary Complex Trapped in a Crystal Reveals the Catalytic Mechanism of a Retaining Glycosyltransferase. Angew.Chem.Int.Ed.Engl., 54, 2015
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