5MK3
 
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6D1R
 | | Structure of Staphylococcus aureus RNase P protein at 2.0 angstrom | | Descriptor: | Ribonuclease P protein component | | Authors: | Ha, L, Colquhoun, J, Noinaj, N, Das, C, Dunman, P, Flaherty, D.P. | | Deposit date: | 2018-04-12 | | Release date: | 2018-09-26 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.995 Å) | | Cite: | Crystal structure of the ribonuclease-P-protein subunit from Staphylococcus aureus.
Acta Crystallogr F Struct Biol Commun, 74, 2018
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6CZK
 | | Crystal structure of wild-type human pro-cathepsin H | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Pro-cathepsin H, ... | | Authors: | Huang, X, Hao, Y. | | Deposit date: | 2018-04-09 | | Release date: | 2018-08-08 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.001 Å) | | Cite: | Crystal structures of human procathepsin H.
PLoS ONE, 13, 2018
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8PTU
 | | 2.5 A cryo-EM structure of the in vitro FimD-catalyzed assembly of type 1 pilus rod | | Descriptor: | Type-1 fimbrial protein, A chain | | Authors: | Zyla, D, Hospenthal, M, Glockshuber, R, Waksman, G. | | Deposit date: | 2023-07-14 | | Release date: | 2024-04-10 | | Last modified: | 2024-04-17 | | Method: | ELECTRON MICROSCOPY (2.52 Å) | | Cite: | The assembly platform FimD is required to obtain the most stable quaternary structure of type 1 pili.
Nat Commun, 15, 2024
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5O6A
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6EEZ
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5FX3
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7DVA
 | | Structure of wild type Bt4394, a GH20 family sulfoglycosidase, in complex with 6S-GlcNAc | | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, GLYCEROL | | Authors: | Zhang, Z, He, Y, Jin, Y. | | Deposit date: | 2021-01-13 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
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7DUP
 | | Apo structure of wild type Bt4394, a GH20 family sulfoglycosidase | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | | Authors: | Zhang, Z, He, Y, Jin, Y. | | Deposit date: | 2021-01-10 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
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7DVB
 | | D335N variant of Bt4394 in complex with 6SO3-NAG-oxazoline intermediate | | Descriptor: | 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, [(3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-methyl-6,7-bis(oxidanyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]oxazol-1-ium-5-yl]methyl sulfate | | Authors: | Zhang, Z, He, Y, Jin, Y. | | Deposit date: | 2021-01-13 | | Release date: | 2022-01-19 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Mechanistic and Structural Insights into the Specificity and Biological Functions of Bacterial Sulfoglycosidases
Acs Catalysis, 13, 2023
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5FS5
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5FWR
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5TOZ
 | | JAK3 with covalent inhibitor PF-06651600 | | Descriptor: | 1-{(2S,5R)-2-methyl-5-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}propan-1-one, SULFATE ION, Tyrosine-protein kinase JAK3 | | Authors: | Vajdos, F.F. | | Deposit date: | 2016-10-19 | | Release date: | 2016-11-09 | | Last modified: | 2017-11-22 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Discovery of a JAK3-Selective Inhibitor: Functional Differentiation of JAK3-Selective Inhibition over pan-JAK or JAK1-Selective Inhibition.
ACS Chem. Biol., 11, 2016
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4B4P
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF. | | Descriptor: | BROMIDE ION, F18 FIMBRIAL ADHESIN AC, SULFATE ION | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4B4R
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group B type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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4B4Q
 | | Crystal Structure of the lectin domain of F18 fimbrial adhesin FedF in complex with blood group A type 1 hexasaccharide | | Descriptor: | F18 FIMBRIAL ADHESIN AC, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose | | Authors: | Moonens, K, Bouckaert, J, Coddens, A, Tran, T, Panjikar, S, De Kerpel, M, Cox, E, Remaut, H, De Greve, H. | | Deposit date: | 2012-07-31 | | Release date: | 2012-08-15 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural Insight in Histo-Blood Group Binding by the F18 Fimbrial Adhesin Fedf.
Mol.Microbiol., 86, 2012
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8Q1K
 | | Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ... | | Authors: | Roske, Y, Daumke, O, Damme, M. | | Deposit date: | 2023-07-31 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
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8Q1X
 | | Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5'-3' exonuclease PLD3, ... | | Authors: | Roske, Y, Daumke, O, Damme, M. | | Deposit date: | 2023-08-01 | | Release date: | 2023-12-06 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural analysis of PLD3 reveals insights into the mechanism of lysosomal 5' exonuclease-mediated nucleic acid degradation.
Nucleic Acids Res., 52, 2024
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6AN6
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-72 | | Descriptor: | 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, 5'-S-{2-[{2-[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carbonyl)amino]ethyl}(phosphonomethyl)amino]ethyl}-5'-thioadenosine | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2017-08-12 | | Release date: | 2018-08-15 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Bisubstrate analogue inhibitors of HPPK: Transition state mimetics
to be published
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6AN4
 | | Crystal structure of Escherichia coli HPPK in complex with bisubstrate analogue inhibitor HP-39 (J1F) | | Descriptor: | ((2-(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridine-6-carboxamido)-N-(2-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)amino)-2-oxoethyl)acetamido)methyl)phosphonic acid, 2-amino-4-hydroxy-6-hydroxymethyldihydropteridine pyrophosphokinase, CHLORIDE ION | | Authors: | Shaw, G.X, Shi, G, Ji, X. | | Deposit date: | 2017-08-12 | | Release date: | 2018-08-15 | | Last modified: | 2023-08-30 | | Method: | X-RAY DIFFRACTION (1.47 Å) | | Cite: | Bisubstrate analog inhibitors of HPPK: Transition state mimetics
to be published
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4CA4
 | | Crystal structure of FimH lectin domain with the Tyr48Ala mutation, in complex with heptyl alpha-D-mannopyrannoside | | Descriptor: | FIMH, heptyl alpha-D-mannopyranoside | | Authors: | Rabbani, S, Bouckaert, J, Zalewski, A, Preston, R, Eid, S, Thompson, A, Puorger, C, Glockshuber, R, Ernst, B. | | Deposit date: | 2013-10-06 | | Release date: | 2014-10-29 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | Mutation of Tyr137 of the universal Escherichia coli fimbrial adhesin FimH relaxes the tyrosine gate prior to mannose binding.
IUCrJ, 4, 2017
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4BYJ
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | Descriptor: | (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide, AURORA KINASE A | | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2013-07-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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4BYI
 | | Aurora A kinase bound to a highly selective imidazopyridine inhibitor | | Descriptor: | (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide, AURORA KINASE A | | Authors: | Joshi, A, Kosmopoulou, M, Bayliss, R. | | Deposit date: | 2013-07-19 | | Release date: | 2013-11-20 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Aurora Isoform Selectivity: Design and Synthesis of Imidazo[4,5-B]Pyridine Derivatives as Highly Selective Inhibitors of Aurora-A Kinase in Cells.
J.Med.Chem., 56, 2013
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5NSP
 | | Crystal structure of TNKS2 in complex with OD334 | | Descriptor: | 1-[4-[4-(2-chlorophenyl)-5-pyrimidin-4-yl-1,2,4-triazol-3-yl]phenyl]-2-oxidanylidene-3~{H}-benzimidazole-5-carbonitrile, BICARBONATE ION, GLYCEROL, ... | | Authors: | Nkizinkiko, Y, Haikarainen, T, Lehtio, L. | | Deposit date: | 2017-04-26 | | Release date: | 2017-11-29 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of a Novel Series of Tankyrase Inhibitors by a Hybridization Approach.
J. Med. Chem., 60, 2017
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5ORF
 | | Structure of ovine serum albumin in P1 space group | | Descriptor: | DI(HYDROXYETHYL)ETHER, PROLINE, Serum albumin, ... | | Authors: | Talaj, J.A, Bujacz, A, Bujacz, G, Pietrzyk-Brzezinska, A.J. | | Deposit date: | 2017-08-16 | | Release date: | 2017-11-15 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | Crystal structures of serum albumins from domesticated ruminants and their complexes with 3,5-diiodosalicylic acid.
Acta Crystallogr D Struct Biol, 73, 2017
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