6D2G
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4ONA
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4OGB
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![BU of 4ogb by Molmil](/molmil-images/mine/4ogb) | Crystal structure of the catalytic domain of PDE4D2 with compound 2 | Descriptor: | (2R)-8-(3,4-dimethoxyphenyl)-6-methyl-2-(tetrahydro-2H-pyran-4-yl)-2H-chromen-4-ol, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | Feil, S.C, Parker, M.W. | Deposit date: | 2014-01-15 | Release date: | 2015-01-21 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.032 Å) | Cite: | The PDE inhibition profile of LY294002 and tetrahydropyranyl analogues reveals a chromone motif for the development of PDE inhibitors To be Published
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6QFG
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![BU of 6qfg by Molmil](/molmil-images/mine/6qfg) | Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK144 | Descriptor: | 4-[(5-phenyl-1~{H}-imidazol-2-yl)methylamino]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide, GLYCEROL, Kallikrein-6 | Authors: | Thorpe, J.H. | Deposit date: | 2019-01-10 | Release date: | 2019-05-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome. Acta Crystallogr.,Sect.F, 75, 2019
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6N3F
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![BU of 6n3f by Molmil](/molmil-images/mine/6n3f) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to SF3b1 ULM5 | Descriptor: | DI(HYDROXYETHYL)ETHER, GLYCEROL, HIV Tat-specific factor 1, ... | Authors: | Leach, J.R, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2018-11-15 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.099 Å) | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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6IAM
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6QJN
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6PZ5
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![BU of 6pz5 by Molmil](/molmil-images/mine/6pz5) | Crystal Structure of HLA-B*2703 in complex with LRN, a self-peptide | Descriptor: | Beta-2-microglobulin, HLA class I histocompatibility antigen, B*27:03 alpha chain, ... | Authors: | Gras, S. | Deposit date: | 2019-07-31 | Release date: | 2019-11-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Allelic association with ankylosing spondylitis fails to correlate with human leukocyte antigen B27 homodimer formation. J.Biol.Chem., 294, 2019
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6N3E
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![BU of 6n3e by Molmil](/molmil-images/mine/6n3e) | Structure of HIV Tat-specific factor 1 U2AF Homology Motif bound to U2AF ligand motif 4 | Descriptor: | FORMIC ACID, GLYCEROL, HIV Tat-specific factor 1, ... | Authors: | Loerch, S, Jenkins, J.L, Kielkopf, C.L. | Deposit date: | 2018-11-15 | Release date: | 2019-01-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.893 Å) | Cite: | The pre-mRNA splicing and transcription factor Tat-SF1 is a functional partner of the spliceosome SF3b1 subunit via a U2AF homology motif interface. J. Biol. Chem., 294, 2019
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6N3R
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4MX9
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![BU of 4mx9 by Molmil](/molmil-images/mine/4mx9) | CDPK1 from Neospora caninum in complex with inhibitor UW1294 | Descriptor: | 3-(6-ethoxynaphthalen-2-yl)-1-[(1-methylpiperidin-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine, Calmodulin-like domain protein kinase isoenzyme gamma, related | Authors: | Merritt, E.A. | Deposit date: | 2013-09-26 | Release date: | 2013-10-09 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Neospora caninum Calcium-Dependent Protein Kinase 1 Is an Effective Drug Target for Neosporosis Therapy. Plos One, 9, 2014
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7QG4
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![BU of 7qg4 by Molmil](/molmil-images/mine/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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6BX4
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6BY9
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![BU of 6by9 by Molmil](/molmil-images/mine/6by9) | Crystal structure of EHMT1 | Descriptor: | Histone-lysine N-methyltransferase EHMT1, UNKNOWN ATOM OR ION | Authors: | Dong, A, Wei, Y, Li, A, Tempel, W, Han, S, Sunnerhagen, M, Penn, L, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Tong, Y, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-20 | Release date: | 2018-01-31 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal structure of EHMT1 to be published
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6NWG
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7RT9
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![BU of 7rt9 by Molmil](/molmil-images/mine/7rt9) | Crystal structures of human PYY and NPY | Descriptor: | 4A3B2-A Fab heavy chain, 4A3B2-A Fab light chain, GLYCEROL, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2021-08-12 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structures of human neuropeptide Y (NPY) and peptide YY (PYY). Neuropeptides, 92, 2022
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6NLG
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![BU of 6nlg by Molmil](/molmil-images/mine/6nlg) | 1.50 A resolution structure of BfrB (C89S/K96C) from Pseudomonas aeruginosa in complex with a small molecule fragment (analog 1) | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 5-hydroxy-1H-isoindole-1,3(2H)-dione, Bacterioferritin, ... | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | Deposit date: | 2019-01-08 | Release date: | 2019-05-08 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity. J.Am.Chem.Soc., 141, 2019
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6NP6
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![BU of 6np6 by Molmil](/molmil-images/mine/6np6) | Crystal structure of the sensor domain of the transcriptional regulator HcpR from Porphyromonas Gingivalis | Descriptor: | Crp/Fnr family transcriptional regulator, GLYCEROL | Authors: | Musayev, F.N, Belvin, B.R, Escalante, C.R, Turner, J, Scarsdale, J.N, Lewis, J.P. | Deposit date: | 2019-01-17 | Release date: | 2019-06-26 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Nitrosative Stress Sensing in Porphyromonas gingivalis: Structure and Mechanisms of the Heme Binding Transcriptional Regulator HcpR. Acta Crystallogr D Struct Biol, 75, 2019
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6NU6
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![BU of 6nu6 by Molmil](/molmil-images/mine/6nu6) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 | Descriptor: | 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid, ATP-dependent dethiobiotin synthetase BioD, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-31 | Release date: | 2020-02-05 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.437 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 5 To Be Published
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7RTA
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![BU of 7rta by Molmil](/molmil-images/mine/7rta) | Crystal structures of human PYY and NPY | Descriptor: | 4A3B2-B Fab heavy chain, 4A3B2-B Fab light chain, Neuropeptide Y, ... | Authors: | Langley, D.B, Christ, D. | Deposit date: | 2021-08-12 | Release date: | 2022-03-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Crystal structures of human neuropeptide Y (NPY) and peptide YY (PYY). Neuropeptides, 92, 2022
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6NVE
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![BU of 6nve by Molmil](/molmil-images/mine/6nve) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 | Descriptor: | 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-05 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment analogue 7 To Be Published
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6QL8
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![BU of 6ql8 by Molmil](/molmil-images/mine/6ql8) | Cathepsin-K in complex with MIV-711 | Descriptor: | Cathepsin K, NITRATE ION, ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-ethynyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[5-fluoranyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide | Authors: | Derbyshire, D.J. | Deposit date: | 2019-01-31 | Release date: | 2020-02-19 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Successful development of 3-oxohexahydrofuropyrrole amino acid amides as inhibitors of Cathepsin-K. To Be Published
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6OJW
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![BU of 6ojw by Molmil](/molmil-images/mine/6ojw) | Crystal structure of Sphingomonas paucimobilis TMY1009 holo-LsdA | Descriptor: | FE (III) ION, GLYCEROL, Lignostilbene-alpha,beta-dioxygenase isozyme I, ... | Authors: | Kuatsjah, E, Verstraete, M.M, Kobylarz, M.J, Liu, A.K.N, Murphy, M.E.P, Eltis, L.D. | Deposit date: | 2019-04-12 | Release date: | 2019-07-24 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Identification of functionally important residues and structural features in a bacterial lignostilbene dioxygenase. J.Biol.Chem., 294, 2019
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6O9S
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6QKJ
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![BU of 6qkj by Molmil](/molmil-images/mine/6qkj) | EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine | Descriptor: | CHLORIDE ION, FE (III) ION, IMIDAZOLE, ... | Authors: | Stampfli, A.R, Badri, B.N, Schirmer, T, Seebeck, F.P. | Deposit date: | 2019-01-29 | Release date: | 2019-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | An Alternative Active Site Architecture for O2Activation in the Ergothioneine Biosynthetic EgtB from Chloracidobacterium thermophilum. J.Am.Chem.Soc., 141, 2019
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