6ZQY
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6ZTC
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![BU of 6ztc by Molmil](/molmil-images/mine/6ztc) | CRYSTAL STRUCTURE OF PROSTAGLANDIN D2 SYNTHASE IN COMPLEX WITH FRAGMENT 1A AT 1.84A RESOLUTION. | Descriptor: | 1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one, GLUTATHIONE, GLYCEROL, ... | Authors: | Somers, D.O. | Deposit date: | 2020-07-17 | Release date: | 2021-07-28 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | A knowledge-based, structural-aided discovery of a novel class of 2-phenylimidazo[1,2-a]pyridine-6-carboxamide H-PGDS inhibitors. Bioorg.Med.Chem.Lett., 47, 2021
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8P8Q
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![BU of 8p8q by Molmil](/molmil-images/mine/8p8q) | Recombinant Ym1 crystal structure | Descriptor: | ACETATE ION, Chitinase-like protein 3, GLYCEROL | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Aegerter, H, Smole, U, Savvides, S.N, Lambrecht, B.N. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.792 Å) | Cite: | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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7Q27
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8P8S
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![BU of 8p8s by Molmil](/molmil-images/mine/8p8s) | Recombinant Ym2 crystal structure | Descriptor: | 1,2-ETHANEDIOL, Chitinase-like protein 4 | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, A, Savvides, S.N, Lambrecht, B.N. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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7Q29
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![BU of 7q29 by Molmil](/molmil-images/mine/7q29) | Crystal structure of Angiotensin-1 converting enzyme C-domain in complex with dual ACE/NEP inhibitor AD013 | Descriptor: | (2~{S},5~{R})-5-(4-methylphenyl)-1-[2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]ethanoyl]pyrrolidine-2-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Cozier, G.E, Acharya, K.R. | Deposit date: | 2021-10-23 | Release date: | 2022-02-16 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Probing the Requirements for Dual Angiotensin-Converting Enzyme C-Domain Selective/Neprilysin Inhibition. J.Med.Chem., 65, 2022
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8OXT
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![BU of 8oxt by Molmil](/molmil-images/mine/8oxt) | CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) H251A VARIANT COMPLEXED WITH N-ACETYLANTHRANILATE AS RESULT OF IN CRYSTALLO TURNOVER OF ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4- OXOQUINALDINE UNDER HYPEROXIC CONDITIONS | Descriptor: | 1H-3-hydroxy-4-oxoquinaldine 2,4-dioxygenase, 2-(ACETYLAMINO)BENZOIC ACID, GLYCEROL, ... | Authors: | Bui, S, Steiner, R.A. | Deposit date: | 2023-05-02 | Release date: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.003 Å) | Cite: | Evolutionary adaptation from hydrolytic to oxygenolytic catalysis at the alpha / beta-hydrolase fold. Chem Sci, 14, 2023
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8P8R
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![BU of 8p8r by Molmil](/molmil-images/mine/8p8r) | Ex vivo Ym1 crystal structure | Descriptor: | 1,2-ETHANEDIOL, Chitinase-like protein 3 | Authors: | Verschueren, K.H.G, Verstraete, K, Heyndrickx, I, Smole, U, Aegerter, H, Savvides, S.N, Lambrecht, B.N. | Deposit date: | 2023-06-02 | Release date: | 2024-01-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Ym1 protein crystals promote type 2 immunity. Elife, 12, 2024
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5EO7
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![BU of 5eo7 by Molmil](/molmil-images/mine/5eo7) | Crystal structure of AOL | Descriptor: | Predicted protein, SULFATE ION, methyl 1-seleno-alpha-L-fucopyranoside | Authors: | Kato, R, Kiso, M, Ishida, H, Ando, H, Suzuki, T, Shimabukuro, S, Makyio, H. | Deposit date: | 2015-11-10 | Release date: | 2016-06-29 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Six independent fucose-binding sites in the crystal structure of Aspergillus oryzae lectin Biochem.Biophys.Res.Commun., 477, 2016
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8PB1
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![BU of 8pb1 by Molmil](/molmil-images/mine/8pb1) | Cryo-EM structure of a pre-dimerized murine IL-12 complete extracellular signaling complex (Class 1), obtained after local refinement. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Interleukin-12 receptor subunit beta-1,Death-associated protein kinase 1, Interleukin-12 receptor subunit beta-2,Calmodulin-1, ... | Authors: | Felix, J, Bloch, Y, Savvides, S.N. | Deposit date: | 2023-06-08 | Release date: | 2024-02-07 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.5 Å) | Cite: | Structures of complete extracellular receptor assemblies mediated by IL-12 and IL-23. Nat.Struct.Mol.Biol., 31, 2024
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4GAA
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![BU of 4gaa by Molmil](/molmil-images/mine/4gaa) | Structure of Leukotriene A4 hydrolase from Xenopus laevis complexed with inhibitor bestatin | Descriptor: | 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, MGC78867 protein, ZINC ION | Authors: | Stsiapanava, A, Kumar, R.B, Haeggstrom, J.Z, Rinaldo-Matthis, A. | Deposit date: | 2012-07-25 | Release date: | 2013-06-12 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.26 Å) | Cite: | Product formation controlled by substrate dynamics in leukotriene A4 hydrolase. Biochim.Biophys.Acta, 1844, 2014
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4GH7
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7PYR
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![BU of 7pyr by Molmil](/molmil-images/mine/7pyr) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2115 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-[2-[2-[2-[2-[2-[4-[4-[2-[7-azanyl-4-(furan-2-yl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2,4,7,11-pentaen-10-yl]ethyl]piperazin-1-yl]phenoxy]ethanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[5-[2,2-bis(fluoranyl)-4,6,10,12-tetramethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-8-yl]pentyl]ethanamide, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, ... | Authors: | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | Deposit date: | 2021-10-11 | Release date: | 2022-03-02 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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5EQ8
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7PX4
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![BU of 7px4 by Molmil](/molmil-images/mine/7px4) | Crystal structure of the adenosine A2A receptor (A2A-PSB1-bRIL) in complex with preladenant conjugate PSB-2113 | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, CHOLESTEROL, ... | Authors: | Claff, T, Klapschinski, T.A, Tiruttani Subhramanyam, U.K, Vaassen, V.J, Schlegel, J.G, Vielmuth, C, Voss, J.H, Labahn, J, Muller, C.E. | Deposit date: | 2021-10-07 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Single Stabilizing Point Mutation Enables High-Resolution Co-Crystal Structures of the Adenosine A 2A Receptor with Preladenant Conjugates. Angew.Chem.Int.Ed.Engl., 61, 2022
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5EQH
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![BU of 5eqh by Molmil](/molmil-images/mine/5eqh) | Human GLUT1 in complex with inhibitor (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide | Descriptor: | (2~{S})-3-(2-bromophenyl)-2-[2-(4-methoxyphenyl)ethanoylamino]-~{N}-[(1~{S})-1-phenylethyl]propanamide, Solute carrier family 2, facilitated glucose transporter member 1 | Authors: | Kapoor, K, Finer-Moore, J, Pedersen, B.P, Caboni, L, Waight, A.B, Hillig, R, Bringmann, P, Heisler, I, Muller, T, Siebeneicher, H, Stroud, R.M. | Deposit date: | 2015-11-12 | Release date: | 2016-04-13 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism of inhibition of human glucose transporter GLUT1 is conserved between cytochalasin B and phenylalanine amides. Proc.Natl.Acad.Sci.USA, 113, 2016
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7Q0L
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![BU of 7q0l by Molmil](/molmil-images/mine/7q0l) | Crystal structure of the peptide transporter YePEPT-K314A at 2.93 A | Descriptor: | Peptide transporter YePEPT | Authors: | Jeckelmann, J.M, Stauffer, M, Ilgue, H, Boggavarapu, R, Fotiadis, D. | Deposit date: | 2021-10-15 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor. Commun Chem, 5, 2022
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7Q0M
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![BU of 7q0m by Molmil](/molmil-images/mine/7q0m) | Crystal structure of the peptide transporter YePEPT-K314A in complex with LZNV at 2.66 A | Descriptor: | (2~{S})-2-[[(2~{S})-2-azanyl-6-[(4-nitrophenyl)methoxycarbonylamino]hexanoyl]amino]-3-methyl-butanoic acid, Peptide transporter YePEPT, UNDECYL-MALTOSIDE | Authors: | Jeckelmann, J.M, Stauffer, M, Ilgue, H, Fotiadis, D. | Deposit date: | 2021-10-15 | Release date: | 2022-03-09 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.54 Å) | Cite: | Peptide transporter structure reveals binding and action mechanism of a potent PEPT1 and PEPT2 inhibitor. Commun Chem, 5, 2022
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6ZUC
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![BU of 6zuc by Molmil](/molmil-images/mine/6zuc) | X-RAY CRYSTAL STRUCTURE OF THE CsPYL1-Lig1-HAB1 TERNARY COMPLEX | Descriptor: | 1,4-dimethyl-2-oxidanylidene-~{N}-(phenylmethyl)quinoline-6-sulfonamide, CHLORIDE ION, CSPYL1, ... | Authors: | Albert, A, Infantes, L, Benavente, J.L. | Deposit date: | 2020-07-22 | Release date: | 2021-08-04 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | Structure-guided engineering of a receptor-agonist pair for inducible activation of the ABA adaptive response to drought. Sci Adv, 9, 2023
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4GD9
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![BU of 4gd9 by Molmil](/molmil-images/mine/4gd9) | Circular Permuted Streptavidin N49/G48 | Descriptor: | BIOTIN, SULFATE ION, Streptavidin | Authors: | Le Trong, I, Chu, V, Xing, Y, Lybrand, T.P, Stayton, P.S, Stenkamp, R.E. | Deposit date: | 2012-07-31 | Release date: | 2013-06-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural consequences of cutting a binding loop: two circularly permuted variants of streptavidin. Acta Crystallogr.,Sect.D, 69, 2013
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7EAT
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![BU of 7eat by Molmil](/molmil-images/mine/7eat) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 1 | Descriptor: | 1,3-dihydro-2H-indol-2-one, SULFATE ION, [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 4, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | Deposit date: | 2021-03-08 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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4GEW
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7EBG
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![BU of 7ebg by Molmil](/molmil-images/mine/7ebg) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 7 | Descriptor: | 3,3-dimethyl-7-(methylamino)-1H-indol-2-one, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | Deposit date: | 2021-03-09 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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7PKR
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![BU of 7pkr by Molmil](/molmil-images/mine/7pkr) | Vault structure in primmed conformation | Descriptor: | Major vault protein | Authors: | Guerra, P, Gonzalez-Alamos, M, Llauro, A, Casanas, A, Querol-Audi, J, de Pablo, P, Verdaguer, N. | Deposit date: | 2021-08-26 | Release date: | 2022-03-16 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Symmetry disruption commits vault particles to disassembly. Sci Adv, 8, 2022
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7EBB
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![BU of 7ebb by Molmil](/molmil-images/mine/7ebb) | Crystal structure of human pyruvate dehydrogenase kinase 4 in complex with compound 2 | Descriptor: | 1H-pyrrolo[2,3-b]pyridine-3-carbonitrile, ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Orita, T, Doi, S, Iwanaga, T, Adachi, T. | Deposit date: | 2021-03-09 | Release date: | 2021-08-04 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Fragment-based lead discovery to identify novel inhibitors that target the ATP binding site of pyruvate dehydrogenase kinases. Bioorg.Med.Chem., 44, 2021
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