7FGY
 
 | | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with P40, NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine, Bifunctional dihydrofolate reductase-thymidylate synthase, ... | | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, J, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | | Deposit date: | 2021-07-28 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
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6HWX
 | | Mature MLV capsid hexamer structure in intact virus particles | | Descriptor: | Putative gag polyprotein | | Authors: | Qu, K, Glass, B, Dolezal, M, Schur, F.K.M, Rein, A, Rumlova, M, Ruml, T, Kraeusslich, H.G, Briggs, J.A.G. | | Deposit date: | 2018-10-15 | | Release date: | 2018-12-05 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (7.2 Å) | | Cite: | Structure and architecture of immature and mature murine leukemia virus capsids.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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6RH2
 | | Revisiting pH-gated conformational switch. Complex HK853-RR468 D53A pH 5.3 | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Response regulator, SULFATE ION, ... | | Authors: | Mideros-Mora, C, Casino, P, Marina, A. | | Deposit date: | 2019-04-18 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Revisiting the pH-gated conformational switch on the activities of HisKA-family histidine kinases.
Nat Commun, 11, 2020
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8AML
 | | Crystal structure of AUGUGGCAU duplex with cadmium ions | | Descriptor: | CADMIUM ION, RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3') | | Authors: | Kiliszek, A, Rypniewski, W. | | Deposit date: | 2022-08-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
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7WBS
 | | Crystal structure of HIV-1 protease in complex with lactam derivative 2 | | Descriptor: | (3~{R},4~{R})-1-[(4-methoxyphenyl)methyl]-3-(3-methylbutyl)-3-[4-methylsulfonyl-2-[(2~{S})-1-oxidanylpropan-2-yl]oxy-phenyl]-4-oxidanyl-pyrrolidin-2-one, GLYCEROL, Protease | | Authors: | Kojima, E, Iimuro, A, Nakajima, M, Kinuta, H, Asada, N, Sako, Y, Nakata, Z, Uemura, K, Arita, S, Miki, S, Wakabayashi-Morimoto, C, Tachibana, Y, Fumoto, M. | | Deposit date: | 2021-12-17 | | Release date: | 2022-11-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Pocket-to-Lead: Structure-Based De Novo Design of Novel Non-peptidic HIV-1 Protease Inhibitors Using the Ligand Binding Pocket as a Template.
J.Med.Chem., 65, 2022
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3VZ0
 | | Structural insights into cofactor and substrate selection by Gox0499 | | Descriptor: | NONAETHYLENE GLYCOL, Putative NAD-dependent aldehyde dehydrogenase | | Authors: | Yuan, Y.A, Yuan, Z, Yin, B, Wei, D. | | Deposit date: | 2012-10-09 | | Release date: | 2013-07-10 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis for cofactor and substrate selection by cyanobacterium succinic semialdehyde dehydrogenase
J.Struct.Biol., 182, 2013
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8AMN
 | | Crystal structure of AUGUGGCAU duplex with strontium ions | | Descriptor: | RNA (5'-R(*AP*UP*GP*UP*GP*GP*CP*AP*U)-3'), STRONTIUM ION | | Authors: | Kiliszek, A, Rypniewski, W. | | Deposit date: | 2022-08-03 | | Release date: | 2022-11-23 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.46 Å) | | Cite: | Structure and thermodynamics of a UGG motif interacting with Ba2+ and other metal ions: accommodating changes in the RNA structure and the presence of a G(syn)-G(syn) pair.
Rna, 29, 2022
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5LE4
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DD_D12_11_D12 | | Descriptor: | DD_D12_11_D12 | | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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5LEA
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_12_3G124 | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, DD_Off7_12_3G124 | | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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6O9S
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6B1V
 | | Crystal structure of Ps i-CgsB C78S in complex with i-neocarratetraose | | Descriptor: | 1,2-ETHANEDIOL, 3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose-(1-4)-3,6-anhydro-2-O-sulfo-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CALCIUM ION, ... | | Authors: | Hettle, A.G, Boraston, A.B. | | Deposit date: | 2017-09-19 | | Release date: | 2018-03-14 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | The Molecular Basis of Polysaccharide Sulfatase Activity and a Nomenclature for Catalytic Subsites in this Class of Enzyme.
Structure, 26, 2018
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6RHQ
 | | Crystal Structure of Two-Domain Laccase mutant I170A from Streptomyces griseoflavus | | Descriptor: | COPPER (II) ION, GLYCEROL, SULFATE ION, ... | | Authors: | Gabdulkhakov, A.G, Tishchenko, T.V, Kolyadenko, I.A. | | Deposit date: | 2019-04-22 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Investigations of Accessibility of T2/T3 Copper Center of Two-Domain Laccase fromStreptomyces griseoflavusAc-993.
Int J Mol Sci, 20, 2019
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5LYD
 | | Crystal structure of 1 in complex with tafCPB | | Descriptor: | (2~{S})-6-azanyl-2-(sulfamoylamino)hexanoic acid, Carboxypeptidase B, ZINC ION | | Authors: | Schreuder, H, Liesum, A, Loenze, P. | | Deposit date: | 2016-09-27 | | Release date: | 2016-10-26 | | Last modified: | 2016-12-21 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Sulfamide as Zinc Binding Motif in Small Molecule Inhibitors of Activated Thrombin Activatable Fibrinolysis Inhibitor (TAFIa).
J. Med. Chem., 59, 2016
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5LED
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DDD_D12_12_D12_12_D12 | | Descriptor: | DDD_D12_12_D12_12_D12 | | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | Deposit date: | 2016-06-29 | | Release date: | 2017-08-02 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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4D7E
 | | An unprecedented NADPH domain conformation in Lysine Monooxygenase NbtG from Nocardia farcinica | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, L-LYS MONOOXYGENASE | | Authors: | Binda, C, Robinson, R, Keul, N, Rodriguez, P, Robinson, H.H, Mattevi, A, Sobrado, P. | | Deposit date: | 2014-11-24 | | Release date: | 2015-04-01 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | An Unprecedented Nadph Domain Conformation in Lysine Monooxygenase Nbtg Provides Insights Into Uncoupling of Oxygen Consumption from Substrate Hydroxylation.
J.Biol.Chem., 290, 2015
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5LEM
 | | Crystal structure of DARPin-DARPin rigid fusion, variant DD_Off7_11_3G124 in complex with Maltose-binding Protein and Green Fluorescent Protein | | Descriptor: | DD_Off7_11_3G124, Green fluorescent protein, Maltose-binding periplasmic protein | | Authors: | Batyuk, A, Wu, Y, Mittl, P.R, Plueckthun, A. | | Deposit date: | 2016-06-30 | | Release date: | 2017-08-02 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (2.98 Å) | | Cite: | Rigidly connected multispecific artificial binders with adjustable geometries.
Sci Rep, 7, 2017
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2DTN
 | | Crystal structure of Helicobacter pylori undecaprenyl pyrophosphate synthase complexed with pyrophosphate | | Descriptor: | DIPHOSPHATE, undecaprenyl pyrophosphate synthase | | Authors: | Guo, R.T, Kuo, C.J, Chen, C.L, Ko, T.P, Liang, P.H, Wang, A.H.-J. | | Deposit date: | 2006-07-13 | | Release date: | 2007-06-26 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Biochemical characterization, crystal structure, and inhibitors of Helicobacter pylori undecaprenyl pyrophosphate synthase
To be Published
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3IC7
 | | Crystal Structure of Putative Transcriptional Regulator of GntR Family from Bacteroides thetaiotaomicron | | Descriptor: | Putative transcriptional regulator | | Authors: | Kim, Y, Sather, A, Tesar, C, Clancy, S, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2009-07-17 | | Release date: | 2009-07-28 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.819 Å) | | Cite: | Crystal Structure of Putative Transcriptional Regulator of GntR Family from Bacteroides thetaiotaomicron
To be Published
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4HPW
 | | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine | | Descriptor: | 3-methoxy-L-tyrosine, Tyrosine--tRNA ligase | | Authors: | Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J. | | Deposit date: | 2012-10-24 | | Release date: | 2013-10-30 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.998 Å) | | Cite: | Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
To be Published
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2WK6
 | | Structural features of native human thymidine phosphorylase and in complex with 5-iodouracil | | Descriptor: | 5-IODOURACIL, THYMIDINE PHOSPHORYLASE | | Authors: | Mitsiki, E, Papageorgiou, A.C, Iyer, S, Thiyagarajan, N, Prior, S.H, Sleep, D, Finnis, C, Acharya, K.R. | | Deposit date: | 2009-06-05 | | Release date: | 2009-07-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structures of Native Human Thymidine Phosphorylase and in Complex with 5-Iodouracil.
Biochem.Biophys.Res.Commun., 386, 2009
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7FGW
 | | Toxoplasma gondii dihydrofolate reductase thymidylate synthase (TgDHFR-TS) complexed with pyrimethamine, NADPH and dUMP | | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, 5-(4-CHLORO-PHENYL)-6-ETHYL-PYRIMIDINE-2,4-DIAMINE, BENZAMIDINE, ... | | Authors: | Vanichtanankul, J, Yoomuang, A, Taweechai, S, Saeyang, T, Yuvaniyama, Y, Tarnchompoo, B, Yuthavong, Y, Kamchonwongpaisan, S. | | Deposit date: | 2021-07-28 | | Release date: | 2022-06-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Structural Insight into Effective Inhibitors' Binding to Toxoplasma gondii Dihydrofolate Reductase Thymidylate Synthase.
Acs Chem.Biol., 17, 2022
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5W9Q
 | | Zinc finger region of MBD1 in complex with CpG DNA | | Descriptor: | Methyl-CpG-binding domain protein 1, UNKNOWN ATOM OR ION, ZINC ION, ... | | Authors: | Liu, K, Xu, C, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-06-23 | | Release date: | 2017-10-18 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants.
Structure, 26, 2018
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6RZE
 | | Crystal structure of E. coli Adenylate kinase R119A mutant | | Descriptor: | Adenylate kinase, CHLORIDE ION, SODIUM ION | | Authors: | Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E. | | Deposit date: | 2019-06-13 | | Release date: | 2019-08-07 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | Nucleation of an Activating Conformational Change by a Cation-pi Interaction.
Biochemistry, 58, 2019
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7QXJ
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6Z8O
 | | Structure of [NiFeSe] hydrogenase G491A variant from Desulfovibrio vulgaris Hildenborough pressurized with Krypton gas - structure G491A-Kr | | Descriptor: | CARBONMONOXIDE-(DICYANO) IRON, CHLORIDE ION, FE (II) ION, ... | | Authors: | Zacarias, S, Temporao, A, Carpentier, P, van der Linden, P, Pereira, I.A.C, Matias, P.M. | | Deposit date: | 2020-06-02 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
J.Biol.Inorg.Chem., 25, 2020
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