1VLB
 
 | | STRUCTURE REFINEMENT OF THE ALDEHYDE OXIDOREDUCTASE FROM DESULFOVIBRIO GIGAS AT 1.28 A | | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), ALDEHYDE OXIDOREDUCTASE, CHLORIDE ION, ... | | Authors: | Rebelo, J.M, Dias, J.M, Huber, R, Moura, J.J.G, Romao, M.J. | | Deposit date: | 2004-07-20 | | Release date: | 2004-07-27 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.28 Å) | | Cite: | Structure refinement of the aldehyde oxidoreductase from Desulfovibrio gigas (MOP) at 1.28 A
J.Biol.Inorg.Chem., 6, 2001
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6HS1
 | | EthR2 in complex with compound 9 (BDM76060) | | Descriptor: | (1~{R},5~{S})-9-[2-(4-chlorophenyl)ethyl]-9-azabicyclo[3.3.1]nonan-3-one, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.69 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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6HRY
 | | EthR2 in complex with compound 3 (BDM72719) | | Descriptor: | 1-(6-methylpyridin-2-yl)-3-propyl-urea, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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2CM8
 | | Structural Basis for Inhibition of Protein Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics | | Descriptor: | 5-(3-HYDROXYPHENYL)ISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE, MAGNESIUM ION, TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1 | | Authors: | Ala, P.J, Gonneville, L, Hillman, M.C, Becker-Pasha, M, Wei, M, Reid, B.G, Klabe, R, Yue, E.W, Wayland, B, Douty, B, Combs, A.P, Polam, P, Wasserman, Z, Bower, M, Burn, T.C, Hollis, G.F, Wynn, R. | | Deposit date: | 2006-05-04 | | Release date: | 2006-08-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural Basis for Inhibition of Protein-Tyrosine Phosphatase 1B by Isothiazolidinone Heterocyclic Phosphonate Mimetics.
J.Biol.Chem., 281, 2006
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6HRZ
 | | EthR2 in complex with compound 4 (BDM72170) | | Descriptor: | 1-(1,3-benzothiazol-2-yl)guanidine, Probable transcriptional regulatory protein | | Authors: | Wintjens, R, Wohlkonig, A, Tanina, A. | | Deposit date: | 2018-09-28 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
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5WYB
 | | Structure of Pseudomonas aeruginosa DspI | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, ACETATE ION, Probable enoyl-CoA hydratase/isomerase | | Authors: | Liu, L, Peng, C, Li, T, Li, C, He, L, Song, Y, Zhu, Y, Shen, Y, Bao, R. | | Deposit date: | 2017-01-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Structural and functional studies on Pseudomonas aeruginosa DspI: implications for its role in DSF biosynthesis.
Sci Rep, 8, 2018
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2CYX
 | | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7) | | Descriptor: | Ubiquitin-conjugating enzyme E2 G2 | | Authors: | Yoshikawa, S, Arai, R, Murayama, K, Imai, Y, Takahashi, R, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-07-08 | | Release date: | 2006-04-25 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structure of human ubiquitin-conjugating enzyme E2 G2 (UBE2G2/UBC7)
Acta Crystallogr.,Sect.F, 62, 2006
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3VCR
 | | Crystal structure of a putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase from Oleispira antarctica | | Descriptor: | PYRUVIC ACID, putative Kdpg (2-keto-3-deoxy-6-phosphogluconate) aldolase | | Authors: | Stogios, P.J, Kagan, O, Di Leo, R, Yim, V, Joachimiak, A, Edwards, A.M, Savchenko, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2012-01-04 | | Release date: | 2012-01-18 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Genome sequence and functional genomic analysis of the oil-degrading bacterium Oleispira antarctica.
Nat Commun, 4, 2013
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2D7S
 | | Foot and Mouth Disease Virus RNA-dependent RNA polymerase in complex with VPg protein | | Descriptor: | RNA-dependent RNA polymerase, VPg1 protein | | Authors: | Ferrer-Orta, C, Arias, A, Perez-Luque, R, Escarmis, C, Domingo, E, Verdaguer, N. | | Deposit date: | 2005-11-29 | | Release date: | 2006-03-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The structure of a protein primer-polymerase complex in the initiation of genome replication
Embo J., 25, 2006
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1IEG
 | | CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT S134A/H157A OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | | Descriptor: | CAPSID PROTEIN P40: ASSEMBLIN PROTEASE | | Authors: | Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L. | | Deposit date: | 2001-04-09 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
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1AH2
 | | SERINE PROTEASE PB92 FROM BACILLUS ALCALOPHILUS, NMR, 18 STRUCTURES | | Descriptor: | SERINE PROTEASE PB92 | | Authors: | Boelens, R, Schipper, D, Martin, J.R, Karimi-Nejad, Y, Mulder, F, Zwan, J.V.D, Mariani, M. | | Deposit date: | 1997-04-11 | | Release date: | 1998-04-15 | | Last modified: | 2024-05-22 | | Method: | SOLUTION NMR | | Cite: | The solution structure of serine protease PB92 from Bacillus alcalophilus presents a rigid fold with a flexible substrate-binding site.
Structure, 5, 1997
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7NGB
 | | Structure of Wild-Type Human Potassium Chloride Transporter KCC3 in NaCl (LMNG/CHS) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform 2 of Solute carrier family 12 member 6, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | | Authors: | Chi, G, Man, H, Pike, A.C.W, Wang, D, McKinley, G, Mukhopadhyay, S.M.M, MacLean, E.M, Chalk, R, Moreau, C, Snee, M, Abrusci, P, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Marsden, B.D, Burgess-Brown, N.A, Duerr, K.L. | | Deposit date: | 2021-02-09 | | Release date: | 2021-06-09 | | Last modified: | 2021-07-28 | | Method: | ELECTRON MICROSCOPY (3.64 Å) | | Cite: | Phospho-regulation, nucleotide binding and ion access control in potassium-chloride cotransporters.
Embo J., 40, 2021
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2DBS
 | | Crystal structure of a hypothetical protein TTHC002 from Thermus thermophilus HB8 | | Descriptor: | hypothetical protein TTHC002 | | Authors: | Yoshikawa, S, Arai, R, Kamo-Uchikubo, T, Fusatomi, E, Akasaka, R, Bessho, Y, Murayama, K, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | | Deposit date: | 2005-12-16 | | Release date: | 2006-06-16 | | Last modified: | 2017-10-11 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structure of a hypothetical protein TTHC002 from Thermus thermophilus HB8
To be Published
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6I60
 | | Structure of alpha-L-rhamnosidase from Dictyoglumus thermophilum | | Descriptor: | 2-(2-ETHOXYETHOXY)ETHANOL, Alpha-rhamnosidase, TRIETHYLENE GLYCOL | | Authors: | Lafite, P, Daniellou, R. | | Deposit date: | 2018-11-15 | | Release date: | 2019-02-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.743 Å) | | Cite: | Biochemical Characterization of the alpha-l-RhamnosidaseDtRha fromDictyoglomus thermophilum: Application to the Selective Derhamnosylation of Natural Flavonoids.
Acs Omega, 4, 2019
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5X7G
 | | Crystal Structure of Paenibacillus sp. 598K cycloisomaltooligosaccharide glucanotransferase | | Descriptor: | CALCIUM ION, Cycloisomaltooligosaccharide glucanotransferase, GLYCEROL, ... | | Authors: | Fujimoto, Z, Kishine, N, Suzuki, N, Suzuki, R, Momma, M, Funane, K. | | Deposit date: | 2017-02-26 | | Release date: | 2017-04-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Isomaltooligosaccharide-binding structure ofPaenibacillussp. 598K cycloisomaltooligosaccharide glucanotransferase
Biosci. Rep., 37, 2017
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1IEF
 | | CRYSTAL STRUCTURE OF THE CATALYTIC SITE MUTANT S134A OF THE HUMAN CYTOMEGALOVIRUS PROTEASE | | Descriptor: | CAPSID PROTEIN P40: ASSEMBLIN PROTEASE | | Authors: | Khayat, R, Batra, R, Massariol, M.J, Lagace, L, Tong, L. | | Deposit date: | 2001-04-09 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Investigating the role of histidine 157 in the catalytic activity of human cytomegalovirus protease.
Biochemistry, 40, 2001
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2DO8
 | | Solution Structure of UPF0301 protein HD_1794 | | Descriptor: | UPF0301 protein HD_1794 | | Authors: | Zhang, Q, Liu, G, Shastry, R, Jiang, M, Cunningham, K, Ma, L.C, Xiao, R, Acton, T.R, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG) | | Deposit date: | 2006-04-27 | | Release date: | 2006-05-25 | | Last modified: | 2024-05-29 | | Method: | SOLUTION NMR | | Cite: | Solution Structure of UPF0301 protein HD_1794
To be published
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4MBL
 | | Discovery of Pyrazolo[1,5a]pyrimidine-based Pim1 Inhibitors | | Descriptor: | (1R,2R)-N-[3-(naphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,2-diamine, Serine/threonine-protein kinase pim-1 | | Authors: | Azevedo, R, Fischmann, T.O. | | Deposit date: | 2013-08-19 | | Release date: | 2013-09-11 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Discovery of pyrazolo[1,5-a]pyrimidine-based Pim inhibitors: A template-based approach.
Bioorg.Med.Chem.Lett., 23, 2013
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6I8C
 | | Crystal structure of the murine beta-2-microglobulin. | | Descriptor: | Beta-2-microglobulin, TRIETHYLENE GLYCOL | | Authors: | Achour, A, Sandalova, T, Ricagno, S, Sun, R. | | Deposit date: | 2018-11-20 | | Release date: | 2019-10-02 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Biochemical and biophysical comparison of human and mouse beta-2 microglobulin reveals the molecular determinants of low amyloid propensity.
Febs J., 287, 2020
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6I9S
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2DWA
 | | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Mir, R, Prem Kumar, R, Singh, N, Sinha, M, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-09 | | Release date: | 2006-08-29 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure of the complex of lactoferrin C-terminal half with fucose at 2.07 A resolution
To be Published
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2DWI
 | | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CARBONATE ION, FE (III) ION, ... | | Authors: | Prem Kumar, R, Mir, R, Sinha, M, Singh, N, Sharma, S, Kaur, P, Bhushan, A, Singh, T.P. | | Deposit date: | 2006-08-13 | | Release date: | 2006-09-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Crystal structure of the complex formed between C-terminal half of bovine lactoferrin and cellobiose at 2.2 A resolution
To be Published
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5F5F
 | | X-ray structure of Roquin ROQ domain in complex with a Selex-derived hexa-loop RNA motif | | Descriptor: | RNA (5'-R(P*UP*GP*AP*CP*UP*GP*CP*GP*UP*UP*UP*UP*AP*GP*GP*AP*GP*UP*UP*A)-3'), Roquin-1 | | Authors: | Janowski, R, Schlundt, A, Sattler, M, Niessing, D. | | Deposit date: | 2015-12-04 | | Release date: | 2016-04-06 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Roquin recognizes a non-canonical hexaloop structure in the 3'-UTR of Ox40.
Nat Commun, 7, 2016
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4LY1
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1FFO
 | | CRYSTAL STRUCTURE OF MURINE CLASS I H-2DB COMPLEXED WITH SYNTHETIC PEPTIDE GP33 (C9M/K1A) | | Descriptor: | BETA-2 MICROGLOBULIN BETA CHAIN, H-2 CLASS I HISTOCOMPATIBILITY ANTIGEN, D-B, ... | | Authors: | Wang, B, Sharma, A, Maile, R, Saad, M, Collins, E.J, Frelinger, J.A. | | Deposit date: | 2000-07-25 | | Release date: | 2002-12-11 | | Last modified: | 2017-02-01 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Peptidic termini play a significant role in TCR recognition.
J.Immunol., 169, 2002
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