5NLW
 
 | | Structure of Nb36 crystal form 2 | | Descriptor: | SULFATE ION, nanobody Nb36 | | Authors: | Hansen, S.B, Andersen, K.R, Laursen, N.S, Andersen, G.R. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-31 | | Last modified: | 2017-11-15 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures.
Acta Crystallogr D Struct Biol, 73, 2017
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1S4Q
 | | Crystal Structure of Guanylate Kinase from Mycobacterium tuberculosis (Rv1389) | | Descriptor: | CHLORIDE ION, FORMIC ACID, Guanylate kinase | | Authors: | Chan, S, Sawaya, M.R, Perry, L.J, Eisenberg, D, TB Structural Genomics Consortium (TBSGC) | | Deposit date: | 2004-01-16 | | Release date: | 2004-01-27 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Crystal Structure of Guanylate Kinase from Mycobacterium tuberculosis
To be Published
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1SE4
 | | STAPHYLOCOCCAL ENTEROTOXIN B COMPLEXED WITH LACTOSE | | Descriptor: | STAPHYLOCOCCAL ENTEROTOXIN B, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Swaminathan, S, Sax, M. | | Deposit date: | 1997-04-16 | | Release date: | 1997-10-15 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Residues defining V beta specificity in staphylococcal enterotoxins.
Nat.Struct.Biol., 2, 1995
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5NLU
 | | Structure of Nb36 crystal form 1 | | Descriptor: | SULFATE ION, single domain llama antibody Nb36 | | Authors: | Hansen, S.B, Andersen, K.R, Laursen, N.S, Andersen, G.R. | | Deposit date: | 2017-04-05 | | Release date: | 2017-05-31 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (1.193 Å) | | Cite: | Introducing site-specific cysteines into nanobodies for mercury labelling allows de novo phasing of their crystal structures.
Acta Crystallogr D Struct Biol, 73, 2017
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5ZS3
 | | Small heat shock protein from M. marinum:Form-1 | | Descriptor: | CHLORIDE ION, GLY-ARG-LEU-LEU-PRO, Molecular chaperone (Small heat shock protein), ... | | Authors: | Bhandari, S, Suguna, K. | | Deposit date: | 2018-04-27 | | Release date: | 2019-01-30 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Dodecameric structure of a small heat shock protein from Mycobacterium marinum M.
Proteins, 87, 2019
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5ZS6
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5VF4
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1UEH
 | | E. coli undecaprenyl pyrophosphate synthase in complex with Triton X-100, magnesium and sulfate | | Descriptor: | MAGNESIUM ION, OXTOXYNOL-10, SULFATE ION, ... | | Authors: | Chang, S.-Y, Ko, T.-P, Liang, P.-H, Wang, A.H.-J. | | Deposit date: | 2003-05-15 | | Release date: | 2003-08-12 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Catalytic mechanism revealed by the crystal structure of undecaprenyl pyrophosphate synthase in complex with sulfate, magnesium, and triton
J.Biol.Chem., 278, 2003
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5MA5
 | | GFP-binding DARPin fusion gc_K11 | | Descriptor: | 1,2-ETHANEDIOL, CITRIC ACID, Green fluorescent protein, ... | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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5ZUL
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8GOD
 | | Co-crystal structure of Human Protein-arginine deiminase type-4 (PAD4) with small molecule inhibitor JBI-589 | | Descriptor: | Protein-arginine deiminase type-4, [(3~{R})-3-azanylpiperidin-1-yl]-[2-[1-[(4-fluorophenyl)methyl]indol-2-yl]-3-methyl-imidazo[1,2-a]pyridin-7-yl]methanone | | Authors: | Swaminathan, S, Birudukota, S, Vaithilingam, K, Kandan, S, Asaithambi, K, Kathiresan, N, Gosu, R, Rajagopal, S, Sadhu, N. | | Deposit date: | 2022-08-24 | | Release date: | 2023-03-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.88 Å) | | Cite: | Alleviation of arthritis through prevention of neutrophil extracellular traps by an orally available inhibitor of protein arginine deiminase 4.
Sci Rep, 13, 2023
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1R9X
 | | Bacterial cytosine deaminase D314G mutant. | | Descriptor: | Cytosine deaminase, FE (III) ION, GLYCEROL, ... | | Authors: | Mahan, S.D, Ireton, G.C, Stoddard, B.L, Black, M.E. | | Deposit date: | 2003-10-31 | | Release date: | 2004-10-05 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Random mutagenesis and selection of Escherichia coli cytosine deaminase for cancer gene therapy.
Protein Eng.Des.Sel., 17, 2004
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7ZLS
 | | co-crystal structure of SOCS2:ElonginB:ElonginC in complex with compound 13 | | Descriptor: | 1,2-ETHANEDIOL, Elongin-B, Elongin-C, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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7ZLM
 | | Crystal structure of SOCS2:ElonginB:ElonginC in complex with compound MN551 | | Descriptor: | Elongin-B, Elongin-C, Suppressor of cytokine signaling 2, ... | | Authors: | Ramachandran, S, Ciulli, A, Makukhin, N. | | Deposit date: | 2022-04-15 | | Release date: | 2023-04-26 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Structure-based design of a phosphotyrosine-masked covalent ligand targeting the E3 ligase SOCS2.
Nat Commun, 14, 2023
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6H42
 | | crystal structure of the human TGT catalytic subunit QTRT1 | | Descriptor: | BROMIDE ION, CHLORIDE ION, GLUTAMIC ACID, ... | | Authors: | Johannsson, S, Neumann, P, Ficner, R. | | Deposit date: | 2018-07-20 | | Release date: | 2018-09-05 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Crystal Structure of the Human tRNA Guanine Transglycosylase Catalytic Subunit QTRT1.
Biomolecules, 8, 2018
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2WGU
 | | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N- methoxycarbonyl -3,5-dideoxy- D-glycero-a-D-galacto-2-nonulopyranosylonic acid | | Descriptor: | 3,5-dideoxy-5-[(methoxycarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
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5MA9
 | | GFP-binding DARPin fusion gc_R11 | | Descriptor: | 1,2-ETHANEDIOL, Green fluorescent protein, R11 | | Authors: | Hansen, S, Stueber, J, Ernst, P, Koch, A, Bojar, D, Batyuk, A, Plueckthun, A. | | Deposit date: | 2016-11-03 | | Release date: | 2017-11-08 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Design and applications of a clamp for Green Fluorescent Protein with picomolar affinity.
Sci Rep, 7, 2017
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5MFG
 | | Designed armadillo repeat protein YIIIM5AII in complex with peptide (RR)4 | | Descriptor: | (RR)4, CALCIUM ION, YIIIM5AII | | Authors: | Hansen, S, Ernst, P, Reichen, C, Ewald, C, Mittl, P, Plueckthun, A. | | Deposit date: | 2016-11-18 | | Release date: | 2017-09-13 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Curvature of designed armadillo repeat proteins allows modular peptide binding.
J. Struct. Biol., 201, 2018
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2WGT
 | | Structure of human adenovirus serotype 37 fibre head in complex with a sialic acid derivative, O-Methyl 5-N-propaonyl-3,5-dideoxy-D- glycero-a-D-galacto-2-nonulopyranosylonic acid | | Descriptor: | 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid, FIBER PROTEIN, ZINC ION | | Authors: | Johansson, S, Nilsson, E, Qian, W, Guilligay, D, Crepin, T, Cusack, S, Arnberg, N, Elofsson, M. | | Deposit date: | 2009-04-27 | | Release date: | 2009-11-24 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Design, Synthesis, and Evaluation of N-Acyl Modified Sialic Acids as Inhibitors of Adenoviruses Causing Epidemic Keratoconjunctivitis.
J.Med.Chem., 52, 2009
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6OAQ
 | | Crystal structure of a dual sensor histidine kinase in BeF3- bound state | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Dual sensor histidine kinase, MAGNESIUM ION, ... | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-18 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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6OB8
 | | Crystal structure of a dual sensor histidine kinase in green light illuminated state | | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-19 | | Release date: | 2019-09-18 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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7EU5
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000107 | | Descriptor: | 6-fluoranyl-10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | Deposit date: | 2021-05-16 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.731 Å) | | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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7ET7
 | | Co-crystal structure of Human Nicotinamide N-methyltransferase (NNMT) with tricyclic small molecule inhibitor JBSNF-000028 | | Descriptor: | 10-methyl-1,10-diazatricyclo[6.3.1.0^{4,12}]dodeca-4,6,8(12)-trien-11-imine, Nicotinamide N-methyltransferase, S-ADENOSYL-L-HOMOCYSTEINE | | Authors: | Swaminathan, S, Gosu, R, Birudukota, S, Kandan, S, Vaithilingam, K. | | Deposit date: | 2021-05-12 | | Release date: | 2022-05-18 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.61 Å) | | Cite: | Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
Sci Rep, 12, 2022
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2O8O
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6OAP
 | | Crystal structure of a dual sensor histidine kinase in the green-light absorbing Pg state | | Descriptor: | Dual sensor histidine kinase, MAGNESIUM ION, PHYCOCYANOBILIN | | Authors: | Heewhan, S, Zhong, R, Xiaoli, Z, Sepalika, B, Xiaojing, Y. | | Deposit date: | 2019-03-18 | | Release date: | 2019-09-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.97 Å) | | Cite: | Structural basis of molecular logic OR in a dual-sensor histidine kinase.
Proc.Natl.Acad.Sci.USA, 116, 2019
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