4ZH0
 
 | | Structure of Helicobacter pylori adhesin BabA determined by SeMet SAD | | Descriptor: | Outer membrane protein-adhesin | | Authors: | Howard, T.D, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | | Deposit date: | 2015-04-24 | | Release date: | 2015-08-19 | | Last modified: | 2015-12-09 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
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7QEN
 | | S.c. Condensin core in DNA- and ATP-bound state | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Condensin complex subunit 1, Condensin complex subunit 2, ... | | Authors: | Lecomte, L, Hassler, M, Haering, C, Eustermann, S. | | Deposit date: | 2021-12-03 | | Release date: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.46 Å) | | Cite: | A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
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7QFW
 | | S.c. Condensin peripheral Ycg1 subcomplex bound to DNA | | Descriptor: | Condensin complex subunit 2, Condensin complex subunit 3, Synthetic DNA ligand, ... | | Authors: | Lecomte, L, Hassler, M, Haering, C, Eustermann, S. | | Deposit date: | 2021-12-06 | | Release date: | 2022-06-15 | | Method: | ELECTRON MICROSCOPY (3.86 Å) | | Cite: | A hold-and-feed mechanism drives directional DNA loop extrusion by condensin.
Science, 376, 2022
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3OD3
 | | CueO at 1.1 A resolution including residues in previously disordered region | | Descriptor: | 1,2-ETHANEDIOL, Blue copper oxidase cueO, COPPER (II) ION, ... | | Authors: | Montfort, W.R, Roberts, S.A, Singh, S.K. | | Deposit date: | 2010-08-10 | | Release date: | 2011-09-07 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
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4ZH7
 | | Structural basis of Lewisb antigen binding by the Helicobacter pylori adhesin BabA | | Descriptor: | Outer membrane protein-adhesin, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-3)-[alpha-L-fucopyranose-(1-4)]2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose | | Authors: | Howard, T, Hage, N, Phillips, C, Brassington, C.A, Debreczeni, J, Overman, R, Gellert, P, Stolnik, S, Winkler, G.S, Falcone, F.H. | | Deposit date: | 2015-04-24 | | Release date: | 2015-08-19 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Structural basis of Lewis(b) antigen binding by the Helicobacter pylori adhesin BabA.
Sci Adv, 1, 2015
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3NSY
 | | The multi-copper oxidase CueO with six Met to Ser mutations (M358S,M361S,M362S,M364S,M366S,M368S) | | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, CU-O-CU LINKAGE | | Authors: | Roberts, S.A, Montfort, W.R, Singh, S.K. | | Deposit date: | 2010-07-02 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
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3NSD
 | | Silver bound to the multicopper oxidase CueO (untagged) | | Descriptor: | Blue copper oxidase cueO, COPPER (II) ION, OXYGEN ATOM, ... | | Authors: | Montfort, W.R, Roberts, S.A, Singh, S.K. | | Deposit date: | 2010-07-01 | | Release date: | 2011-08-17 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of multicopper oxidase CueO bound to copper(I) and silver(I): functional role of a methionine-rich sequence.
J. Biol. Chem., 286, 2011
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6OFT
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7P6T
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form III) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-ethyl-2-(hydroxymethyl)propane-1,3-diol, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-17 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6S
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form II) | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2, pentane-1,5-diol | | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-17 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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7P6R
 | | Crystal structure of the FimH-binding decoy module of human glycoprotein 2 (GP2) (crystal form I) | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Isoform Alpha of Pancreatic secretory granule membrane major glycoprotein GP2 | | Authors: | Stsiapanava, A, Tunyasuvunakool, K, Jumper, J, de Sanctis, D, Jovine, L. | | Deposit date: | 2021-07-17 | | Release date: | 2022-03-16 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Structure of the decoy module of human glycoprotein 2 and uromodulin and its interaction with bacterial adhesin FimH.
Nat.Struct.Mol.Biol., 29, 2022
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6WEB
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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6WEC
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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7P6N
 | | ROCK2 IN COMPLEX WITH COMPOUND 12 | | Descriptor: | Rho-associated protein kinase 2, ~{N}-[(1~{R})-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-yl-piperidine-1-carboxamide | | Authors: | Maillard, M.C. | | Deposit date: | 2021-07-16 | | Release date: | 2022-07-27 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington's Disease.
J.Med.Chem., 65, 2022
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7PUE
 | | Human serum and glucocorticoid-regulated kinase 1 in complex with pyrazolopyridine inhibitor 3a | | Descriptor: | 6-[4-[[2,3-bis(chloranyl)phenyl]sulfonylamino]phenyl]-~{N}-[(3~{R})-pyrrolidin-3-yl]-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxamide, GLYCEROL, Serine/threonine-protein kinase Sgk1 | | Authors: | Dreyer, M.K, Halland, N, Nazare, M. | | Deposit date: | 2021-09-29 | | Release date: | 2021-12-01 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.506 Å) | | Cite: | Rational Design of Highly Potent, Selective, and Bioavailable SGK1 Protein Kinase Inhibitors for the Treatment of Osteoarthritis.
J.Med.Chem., 65, 2022
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5K3Y
 | | Crystal structure of AuroraB/INCENP in complex with BI 811283 | | Descriptor: | Aurora kinase B-A, Inner centromere protein A, N-methyl-N-(1-methylpiperidin-4-yl)-4-{[4-({(1R,2S)-2-[(propan-2-yl)carbamoyl]cyclopentyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}benzamide | | Authors: | Bader, G, Zahn, S.K, Zoephel, A. | | Deposit date: | 2016-05-20 | | Release date: | 2016-08-17 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Pharmacological Profile of BI 847325, an Orally Bioavailable, ATP-Competitive Inhibitor of MEK and Aurora Kinases.
Mol.Cancer Ther., 15, 2016
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6OFR
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5JAI
 | | Yersinia pestis FabV variant T276G | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DIMETHYL SULFOXIDE, ... | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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5JAM
 | | Yersinia pestis FabV variant T276V | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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5JAQ
 | | Yersinia pestis FabV variant T276C | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, DIMETHYL SULFOXIDE, Enoyl-[acyl-carrier-protein] reductase [NADH] | | Authors: | Pschibul, A, Kuper, J, HIrschbeck, M, Kisker, C. | | Deposit date: | 2016-04-12 | | Release date: | 2016-05-25 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Selectivity of Pyridone- and Diphenyl Ether-Based Inhibitors for the Yersinia pestis FabV Enoyl-ACP Reductase.
Biochemistry, 55, 2016
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6U9U
 | | Structure of GM9_TH8seq732127 FAB | | Descriptor: | 1,2-ETHANEDIOL, FORMIC ACID, GM9_TH8seq732127 FAB heavy chain, ... | | Authors: | Singh, S, Liban, T.J, Pancera, M. | | Deposit date: | 2019-09-09 | | Release date: | 2019-11-06 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Extensive dissemination and intraclonal maturation of HIV Env vaccine-induced B cell responses.
J.Exp.Med., 217, 2020
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8OKH
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5KAE
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7M6T
 | | Crystal structure of SOCS2/ElonginB/ElonginC bound to a non-canonical peptide that enhances phospho-peptide binding | | Descriptor: | Elongin-B, Elongin-C, Non-canonical peptide F3, ... | | Authors: | Kershaw, N.J, Li, K, Linossi, E.M, Nicholson, S.E. | | Deposit date: | 2021-03-26 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.194 Å) | | Cite: | Discovery of an exosite on the SOCS2-SH2 domain that enhances SH2 binding to phosphorylated ligands.
Nat Commun, 12, 2021
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8D6H
 | | Q108K:K40L:T51C:T53A:R58L:Q38F:Q4F mutant of hCRBPII bound to synthetic fluorophore CM1V after UV irradiation | | Descriptor: | (2E)-3-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]prop-2-enal, bound form, ACETATE ION, ... | | Authors: | Bingham, C.R, Geiger, J.H, Borhan, B. | | Deposit date: | 2022-06-06 | | Release date: | 2023-02-01 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Light controlled reversible Michael addition of cysteine: a new tool for dynamic site-specific labeling of proteins.
Analyst, 148, 2023
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