4MV8
 
 | | Crystal Structure of Biotin Carboxylase from Haemophilus influenzae in Complex with AMPPCP and Phosphate | | Descriptor: | Biotin carboxylase, PHOSPHATE ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | | Authors: | Broussard, T.C, Pakhomova, S, Neau, D.B, Champion, T.S, Bonnot, R.J, Waldrop, G.L. | | Deposit date: | 2013-09-23 | | Release date: | 2015-01-14 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.06 Å) | | Cite: | Structural Analysis of Substrate, Reaction Intermediate, and Product Binding in Haemophilus influenzae Biotin Carboxylase.
Biochemistry, 54, 2015
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5FJO
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7QFN
 | | Human Topoisomerase II Beta ATPase ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA topoisomerase 2-beta, MAGNESIUM ION, ... | | Authors: | Ling, E.M, Basle, A, Cowell, I.G, Blower, T.R, Austin, C.A. | | Deposit date: | 2021-12-06 | | Release date: | 2022-05-25 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2.621 Å) | | Cite: | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193.
Structure, 30, 2022
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4OYQ
 | | (6-isothiocyanatohexyl)benzene inhibitor complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | 6-isothiocyanatohexylbenzene, GLYCEROL, Macrophage migration inhibitory factor, ... | | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | Deposit date: | 2014-02-12 | | Release date: | 2014-03-05 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | To be published
To be published
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4OSF
 | | 4-(2-isothiocyanatoethyl)phenol inhibitor complexed with Macrophage Migration Inhibitory Factor | | Descriptor: | CHLORIDE ION, ISOPROPYL ALCOHOL, Macrophage migration inhibitory factor, ... | | Authors: | Spencer, E.S, Dale, E.J, Gommans, A.L, Vo, C.T, Rutledge, M.T, Nakatani, Y, Gamble, A.B, Smith, R.A.J, Wilbanks, S.M, Hampton, M.B, Tyndall, J.D.A. | | Deposit date: | 2014-02-12 | | Release date: | 2014-03-12 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor
Eur.J.Med.Chem., 93, 2015
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5FDO
 | | Mcl-1 complexed with small molecule inhibitor | | Descriptor: | 3-[3-(4-chloranyl-3,5-dimethyl-phenoxy)propyl]-~{N}-(phenylsulfonyl)-1~{H}-indole-2-carboxamide, Induced myeloid leukemia cell differentiation protein Mcl-1 | | Authors: | Zhao, B. | | Deposit date: | 2015-12-16 | | Release date: | 2016-03-02 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Discovery of 2-Indole-acylsulfonamide Myeloid Cell Leukemia 1 (Mcl-1) Inhibitors Using Fragment-Based Methods.
J.Med.Chem., 59, 2016
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7QEA
 | | Crystal structure of fluorescein-di-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.28 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QG4
 | | Apo crystal structure of a mutant of SN243 (D415N) | | Descriptor: | SN243, SULFATE ION, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-07 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QEF
 | | Crystal structure of para-nitrophenyl-Beta-D-glucuronide bound to a mutant of SN243 (D415A) | | Descriptor: | 4-nitrophenyl beta-D-glucopyranosiduronic acid, ACETATE ION, SN243, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-02 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QE2
 | | Crystal structure of D-glucuronic acid bound to SN243 | | Descriptor: | ACETATE ION, SN243, SULFATE ION, ... | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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7QE1
 | | Crystal structure of apo SN243 | | Descriptor: | SN243, ZINC ION | | Authors: | Neun, S, Brear, P, Campbell, E, Omari, K, Wagner, O, Hyvonen, M, Hollfelder, F. | | Deposit date: | 2021-12-01 | | Release date: | 2022-10-12 | | Last modified: | 2023-03-29 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Functional metagenomic screening identifies an unexpected beta-glucuronidase.
Nat.Chem.Biol., 18, 2022
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8FMH
 | | Structure of CBASS Cap5 from Pseudomonas syringae as an activated tetramer with the cyclic dinucleotide 3'2'-c-dGAMP ligand (2 tetramers in the AU) | | Descriptor: | 3'2'-cGAMP, DI(HYDROXYETHYL)ETHER, GLYCEROL, ... | | Authors: | Rechkoblit, O, Kreitler, D.F, Aggarwal, A.K. | | Deposit date: | 2022-12-23 | | Release date: | 2024-02-07 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.87 Å) | | Cite: | Activation of CBASS Cap5 endonuclease immune effector by cyclic nucleotides.
Nat.Struct.Mol.Biol., 31, 2024
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5DXT
 | | p110alpha with GDC-0326 | | Descriptor: | (2S)-2-({2-[1-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}oxy)propanamide, 1,2-ETHANEDIOL, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Heffron, T.P, Heald, R.A, Ndubaku, C, Wei, B.Q, Augustin, M, Do, S, Edgar, K, Eigenbrot, C, Friedman, L, Gancia, E, Jackson, P.S, Jones, G, Kolesnikov, A, Lee, L.B, Lesnick, J.D, Lewis, C, McLean, N, Mortle, M, Nonomiya, J, Pang, J, Price, S, Prior, W.W, Salphati, L, Sideris, S, Staben, S.T, Steinbacher, S, Tsui, V, Wallin, J, Sampath, D, Olivero, A. | | Deposit date: | 2015-09-23 | | Release date: | 2016-01-27 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Rational Design of Selective Benzoxazepin Inhibitors of the alpha-Isoform of Phosphoinositide 3-Kinase Culminating in the Identification of (S)-2-((2-(1-Isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydrobenzo[f]imidazo[1,2-d][1,4]oxazepin-9-yl)oxy)propanamide (GDC-0326).
J.Med.Chem., 59, 2016
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2XY5
 | | Crystal structure of an artificial salen-copper basepair in complex with fragment DNA polymerase I from Bacillus stearothermophilus | | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, 5'-D(*AP*GP*GP*GP*AP*SAYP*GP*GP*TP*CP)-3', 5'-D(*GP*AP*CP*CP*SAYP*TP*CP*CP*CP*TP)-3', ... | | Authors: | Kaul, C, Mueller, M, Wagner, M, Schneider, S, Carell, T. | | Deposit date: | 2010-11-15 | | Release date: | 2011-07-27 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.22 Å) | | Cite: | Reversible Bond Formation Enables the Replication and Amplification of a Crosslinking Salen Complex as an Orthogonal Base Pair.
Nature Chem., 3, 2011
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2A79
 | | Mammalian Shaker Kv1.2 potassium channel- beta subunit complex | | Descriptor: | NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, POTASSIUM ION, Potassium voltage-gated channel subfamily A member 2, ... | | Authors: | Long, S.B, Campbell, E.B, MacKinnon, R. | | Deposit date: | 2005-07-05 | | Release date: | 2005-07-12 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Crystal structure of a mammalian voltage-dependent Shaker family K+ channel.
Science, 309, 2005
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5FJT
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6WT2
 | | Crystal Structure of Putative NAD(P)H-Flavin Oxidoreductase from Neisseria meningitidis | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, FLAVIN MONONUCLEOTIDE, ... | | Authors: | Kim, Y, Maltseva, N, Endres, M, Crofts, T, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2020-05-01 | | Release date: | 2020-05-13 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Functional and Structural Characterization of Diverse NfsB Chloramphenicol Reductase Enzymes from Human Pathogens.
Microbiol Spectr, 10, 2022
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5FJR
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5E2H
 | | Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis | | Descriptor: | Beta-lactamase, CHLORIDE ION, GLYCEROL | | Authors: | Kim, Y, Hatzos-Skintges, C, Endres, M, Babnigg, G, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | | Deposit date: | 2015-10-01 | | Release date: | 2015-10-14 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Crystal Structure of D-alanine Carboxypeptidase AmpC from Mycobacterium smegmatis
To Be Published
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3A3I
 | | Crystal structure of penicillin binding protein 4 (dacB) from Haemophilus influenzae, complexed with ampicillin (AIX) | | Descriptor: | (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, Penicillin-binding protein 4 | | Authors: | Kawai, F, Roper, D.I, Park, S.-Y, Tame, J.R.H. | | Deposit date: | 2009-06-12 | | Release date: | 2009-12-22 | | Last modified: | 2013-11-20 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structures of penicillin-binding proteins 4 and 5 from Haemophilus influenzae
J.Mol.Biol., 396, 2010
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7LGU
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7LGW
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7LH2
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5DBV
 | | Structure of a C269A mutant of propionaldehyde dehydrogenase from the Clostridium phytofermentans fucose utilisation bacterial microcompartment | | Descriptor: | ACETATE ION, Aldehyde Dehydrogenase, COENZYME A, ... | | Authors: | Tuck, L.R, Altenbach, K, Ang, T.F, Crawshaw, A.D, Campopiano, D.J, Clarke, D.J, Marles-Wright, J. | | Deposit date: | 2015-08-22 | | Release date: | 2016-03-16 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.77 Å) | | Cite: | Insight into Coenzyme A cofactor binding and the mechanism of acyl-transfer in an acylating aldehyde dehydrogenase from Clostridium phytofermentans.
Sci Rep, 6, 2016
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7LH3
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