6Y68
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5GM1
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![BU of 5gm1 by Molmil](/molmil-images/mine/5gm1) | Crystal structure of methyltransferase TleD complexed with SAH | Descriptor: | O-methylransferase, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Yu, F, Li, M.J, Xu, C.Y, Zhou, H, Sun, B, Wang, Z.J, Xu, Q, Xie, M.Y, Zuo, G, Huang, P, Wang, Q.S, He, J.H. | Deposit date: | 2016-07-12 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.501 Å) | Cite: | Crystal structure and enantioselectivity of terpene cyclization in SAM-dependent methyltransferase TleD Biochem.J., 473, 2016
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8A42
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![BU of 8a42 by Molmil](/molmil-images/mine/8a42) | Crystal structure of the pneumococcal Substrate-binding protein AmiA in complex with an unknown peptide | Descriptor: | Oligopeptide-binding protein AmiA, Unknown peptide | Authors: | Alcorlo, M, Abdullah, M.R, Hammerschmidt, S, Hermoso, J. | Deposit date: | 2022-06-10 | Release date: | 2023-12-20 | Last modified: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular and structural basis of oligopeptide recognition by the Ami transporter system in pneumococci. Plos Pathog., 20, 2024
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6Q3Z
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![BU of 6q3z by Molmil](/molmil-images/mine/6q3z) | Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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8SLF
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6Q43
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![BU of 6q43 by Molmil](/molmil-images/mine/6q43) | Atomic resolution crystal structure of an ABA collagen heterotrimer | Descriptor: | GLYCEROL, Leading Chain of the ABA collagen heterotrimer, Middle Chain of the ABA collagen heterotrimer, ... | Authors: | Jalan, A.A, Hartgerink, J.D, Brear, P, Leitinger, B, Farndale, R.W. | Deposit date: | 2018-12-05 | Release date: | 2019-12-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Atomic resolution crystal structure of an AAB collagen heterotrimer Nat.Chem.Biol., 2019
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8A6X
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![BU of 8a6x by Molmil](/molmil-images/mine/8a6x) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Putative Sensory box protein,Sensor protein FixL | Authors: | Arinkin, V, Granzin, J, Batra-Safferling, R. | Deposit date: | 2022-06-20 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1 (asymmetrical variant, trigonal form with long c axis) To Be Published
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8SQR
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5GWE
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![BU of 5gwe by Molmil](/molmil-images/mine/5gwe) | cytochrome P450 CREJ | Descriptor: | (4-methylphenyl) dihydrogen phosphate, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Dong, S, liu, X, Wang, X, Feng, Y. | Deposit date: | 2016-09-11 | Release date: | 2017-07-12 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Selective oxidation of aliphatic C-H bonds in alkylphenols by a chemomimetic biocatalytic system Proc. Natl. Acad. Sci. U.S.A., 114, 2017
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8SQO
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6Y6H
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![BU of 6y6h by Molmil](/molmil-images/mine/6y6h) | Crystal structure of STK17b (DRAK2) in complex with UNC-AP-194 probe | Descriptor: | 1,2-ETHANEDIOL, 2-[6-(1-benzothiophen-2-yl)thieno[3,2-d]pyrimidin-4-yl]sulfanylethanoic acid, Serine/threonine-protein kinase 17B | Authors: | Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Drewry, D, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-02-26 | Release date: | 2020-03-11 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | A Chemical Probe for Dark Kinase STK17B Derives Its Potency and High Selectivity through a Unique P-Loop Conformation. J.Med.Chem., 63, 2020
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7L5S
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![BU of 7l5s by Molmil](/molmil-images/mine/7l5s) | Crystal Structure of Haemophilus influenzae MtsZ at pH 5.5 | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, MOLYBDENUM ATOM, OXYGEN ATOM, ... | Authors: | Struwe, M.A, Luo, Z, Kappler, U, Kobe, B. | Deposit date: | 2020-12-22 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.089 Å) | Cite: | Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes. J.Biol.Chem., 296, 2021
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6Q4B
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![BU of 6q4b by Molmil](/molmil-images/mine/6q4b) | CDK2 in complex with FragLite13 | Descriptor: | 5-bromanylpyrimidine, Cyclin-dependent kinase 2 | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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8A7F
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![BU of 8a7f by Molmil](/molmil-images/mine/8a7f) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (asymmetrical variant, trigonal form with long c axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, FLAVIN MONONUCLEOTIDE, Putative Sensory box protein,Sensor protein FixL | Authors: | Batra-Safferling, R, Arinkin, V, Granzin, J. | Deposit date: | 2022-06-21 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.71 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (asymmetrical variant, trigonal form with long c axis) To Be Published
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6Y30
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![BU of 6y30 by Molmil](/molmil-images/mine/6y30) | NG domain of human SRP54 T115A mutant | Descriptor: | Signal recognition particle 54 kDa protein | Authors: | Juaire, K.D, Wild, K, Sinning, I. | Deposit date: | 2020-02-17 | Release date: | 2020-09-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structural and Functional Impact of SRP54 Mutations Causing Severe Congenital Neutropenia. Structure, 29, 2021
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8A7H
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![BU of 8a7h by Molmil](/molmil-images/mine/8a7h) | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis) | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Flavin mononucleotide (semi-quinone intermediate), Putative Sensory box protein,Sensor protein FixL | Authors: | Arinkin, V, Granzin, J, Batra-Safferling, R. | Deposit date: | 2022-06-21 | Release date: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.145 Å) | Cite: | Crystal structure of a chimeric LOV-Histidine kinase SB2F1-I66R mutant (light state; asymmetrical variant, trigonal form with long c axis) To Be Published
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6F1E
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![BU of 6f1e by Molmil](/molmil-images/mine/6f1e) | Crystal structure of olive flounder [Paralichthys olivaceus] interferon gamma at 2.3 Angstrom resolution | Descriptor: | Interferon gamma | Authors: | Kolenko, P, Kolarova, L, Zahradnik, J, Schneider, B. | Deposit date: | 2017-11-21 | Release date: | 2018-05-23 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.296 Å) | Cite: | Interferons type II and their receptors R1 and R2 in fish species: Evolution, structure, and function. Fish Shellfish Immunol., 79, 2018
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6Y6O
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![BU of 6y6o by Molmil](/molmil-images/mine/6y6o) | Structure of mature activin A with small molecule 42 | Descriptor: | (3~{R})-4-ethyl-3-methyl-3-propyl-1~{H}-1,4-benzodiazepine-2,5-dione, Inhibin beta A chain, SULFATE ION | Authors: | McLoughlin, J.D, Brear, P.B, Reinhardt, T, Spring, D.R, Hyvonen, M. | Deposit date: | 2020-02-26 | Release date: | 2021-02-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion Chem Sci, 11, 2020
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7KIB
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![BU of 7kib by Molmil](/molmil-images/mine/7kib) | PRMT5:MEP50 Complexed with 5,5-Bicyclic Inhibitor Compound 4 | Descriptor: | (2R,3R,3aS,6S,6aR)-6-[(2-amino-3-bromoquinolin-7-yl)oxy]-2-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)hexahydro-3aH-cyclopenta[b]furan-3,3a-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Palte, R.L, Hayes, R.P. | Deposit date: | 2020-10-23 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.52 Å) | Cite: | The Discovery of Two Novel Classes of 5,5-Bicyclic Nucleoside-Derived PRMT5 Inhibitors for the Treatment of Cancer. J.Med.Chem., 64, 2021
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6Q4J
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![BU of 6q4j by Molmil](/molmil-images/mine/6q4j) | CDK2 in complex with FragLite34 | Descriptor: | 2-[3-(pyrimidin-4-ylamino)phenyl]ethanoic acid, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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6JR0
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![BU of 6jr0 by Molmil](/molmil-images/mine/6jr0) | Crystal structure of the human nucleosome phased with 12 selenium atoms | Descriptor: | CHLORIDE ION, DNA (146-MER), Histone H2A type 1-B/E, ... | Authors: | Saotome, M, Horikoshi, N, Urano, K, Kujirai, T, Yuzurihara, H, Kurumizaka, H, Kagawa, W. | Deposit date: | 2019-04-02 | Release date: | 2019-10-02 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure determination of the nucleosome core particle by selenium SAD phasing. Acta Crystallogr D Struct Biol, 75, 2019
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7L5I
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![BU of 7l5i by Molmil](/molmil-images/mine/7l5i) | Crystal Structure of Haemophilus influenzae MtsZ at pH 7.0 | Descriptor: | 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ... | Authors: | Struwe, M.A, Luo, Z, Kappler, U, Kobe, B. | Deposit date: | 2020-12-22 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.733 Å) | Cite: | Active site architecture reveals coordination sphere flexibility and specificity determinants in a group of closely related molybdoenzymes. J.Biol.Chem., 296, 2021
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8AQX
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![BU of 8aqx by Molmil](/molmil-images/mine/8aqx) | streptavidin mutant S112I with an iridium catalyst for CH activation | Descriptor: | Streptavidin, tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate | Authors: | Igareta, N.V, Ward, T.R. | Deposit date: | 2022-08-14 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | streptavidin mutant S112I with an iridium catalyst for CH activation To Be Published
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7PD5
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![BU of 7pd5 by Molmil](/molmil-images/mine/7pd5) | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid | Descriptor: | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-AMINOBENZOIC ACID, CHLORIDE ION, ... | Authors: | Silva, A, Nunes-Costa, D, Barbosa Pereira, P.J, Macedo-Ribeiro, S. | Deposit date: | 2021-08-04 | Release date: | 2023-02-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Crystal structure of Mycobacterium hassiacum glucosyl-3-phosphoglycerate synthase at pH 5.5 in complex with 4-aminobenzoic acid To Be Published
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8SQQ
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