6GYA
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![BU of 6gya by Molmil](/molmil-images/mine/6gya) | Amylase in complex with branched ligand | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-28 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
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5KOJ
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![BU of 5koj by Molmil](/molmil-images/mine/5koj) | Nitrogenase MoFeP protein in the IDS oxidized state | Descriptor: | 3-HYDROXY-3-CARBOXY-ADIPIC ACID, FE (III) ION, FE(8)-S(7) CLUSTER, ... | Authors: | Owens, C.P, Tezcan, F.A. | Deposit date: | 2016-06-30 | Release date: | 2016-09-14 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.592 Å) | Cite: | Tyrosine-Coordinated P-Cluster in G. diazotrophicus Nitrogenase: Evidence for the Importance of O-Based Ligands in Conformationally Gated Electron Transfer. J.Am.Chem.Soc., 138, 2016
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6QJY
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6GYN
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![BU of 6gyn by Molmil](/molmil-images/mine/6gyn) | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel | Descriptor: | 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1,2-Distearoyl-sn-glycerophosphoethanolamine, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4 | Authors: | Shintre, C.A, Pike, A.C.W, Tessitore, A, Young, M, Bushell, S.R, Strain-Damerell, C, Mukhopadhyay, S, Burgess-Brown, N.A, Huiskonen, J.T, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Carpenter, E.P, Structural Genomics Consortium (SGC) | Deposit date: | 2018-06-30 | Release date: | 2019-05-08 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel To Be Published
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7ZAK
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![BU of 7zak by Molmil](/molmil-images/mine/7zak) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MAGNESIUM ION, ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-03-22 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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7P88
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![BU of 7p88 by Molmil](/molmil-images/mine/7p88) | Crystal structure of YTHDC1 with compound YLI_DC1_002 | Descriptor: | 2-chloranyl-~{N}-methyl-9~{H}-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6RQG
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8Q3X
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![BU of 8q3x by Molmil](/molmil-images/mine/8q3x) | Structure of Nucleosome Core with a Bound Metallopeptide Conjugate (Kaposi Sarcoma Associated Herpesvirus LANA Peptide-Au[I] Compound) | Descriptor: | 4-diphenylphosphanylbenzoic acid, DNA (145-MER), GOLD ION, ... | Authors: | De Falco, L, Batchelor, L.K, Dyson, P.J, Davey, C.A. | Deposit date: | 2023-08-04 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.301 Å) | Cite: | Viral peptide conjugates for metal-warhead delivery to chromatin. Rsc Adv, 14, 2024
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5KR9
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![BU of 5kr9 by Molmil](/molmil-images/mine/5kr9) | Crystal Structure of the ER-alpha Ligand-binding Domain (Y537S) in Complex with Coumestrol | Descriptor: | Coumestrol, Estrogen receptor, NCOA2 | Authors: | Nwachukwu, J.C, Srinivasan, S, Bruno, N.E, Nowak, J, Kojetin, D.J, Elemento, O, Katzenellenbogen, J.A, Nettles, K.W. | Deposit date: | 2016-07-07 | Release date: | 2017-02-15 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Systems Structural Biology Analysis of Ligand Effects on ER alpha Predicts Cellular Response to Environmental Estrogens and Anti-hormone Therapies. Cell Chem Biol, 24, 2017
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5NIZ
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![BU of 5niz by Molmil](/molmil-images/mine/5niz) | EthR complex | Descriptor: | 1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide, HTH-type transcriptional regulator EthR, SULFATE ION | Authors: | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | Deposit date: | 2017-03-27 | Release date: | 2017-11-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | New active leads for tuberculosis booster drugs by structure-based drug discovery. Org. Biomol. Chem., 15, 2017
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5NJO
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![BU of 5njo by Molmil](/molmil-images/mine/5njo) | Roll out the beta-barrel: structure and mechanism of Pac13, a unique nucleoside dehydratase | Descriptor: | Putative cupin_2 domain-containing isomerase | Authors: | Michailidou, F, Bent, A.F, Naismith, J.H, Goss, R.J.M. | Deposit date: | 2017-03-29 | Release date: | 2018-03-28 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Pac13 is a Small, Monomeric Dehydratase that Mediates the Formation of the 3'-Deoxy Nucleoside of Pacidamycins. Angew. Chem. Int. Ed. Engl., 56, 2017
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6RYG
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4YPT
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![BU of 4ypt by Molmil](/molmil-images/mine/4ypt) | X-ray structural of three tandemly linked domains of nsp3 from murine hepatitis virus at 2.60 Angstroms resolution | Descriptor: | GLYCEROL, Replicase polyprotein 1ab, ZINC ION | Authors: | Chen, Y, Savinov, S.N, Mielech, A.M, Cao, T, Baker, S.C, Mesecar, A.D. | Deposit date: | 2015-03-13 | Release date: | 2015-08-26 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.6009 Å) | Cite: | X-ray Structural and Functional Studies of the Three Tandemly Linked Domains of Non-structural Protein 3 (nsp3) from Murine Hepatitis Virus Reveal Conserved Functions. J.Biol.Chem., 290, 2015
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3J7A
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![BU of 3j7a by Molmil](/molmil-images/mine/3j7a) | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine, small subunit | Descriptor: | 18S ribosomal RNA, 40S ribosomal protein eS1, 40S ribosomal protein eS10, ... | Authors: | Wong, W, Bai, X.C, Brown, A, Fernandez, I.S, Hanssen, E, Condron, M, Tan, Y.H, Baum, J, Scheres, S.H.W. | Deposit date: | 2014-06-03 | Release date: | 2014-07-16 | Last modified: | 2018-07-18 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | Cryo-EM structure of the Plasmodium falciparum 80S ribosome bound to the anti-protozoan drug emetine. Elife, 3, 2014
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7P8B
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![BU of 7p8b by Molmil](/molmil-images/mine/7p8b) | Crystal structure of YTHDC1 with compound YLI_DC1_006 | Descriptor: | 9-cyclopropyl-~{N}-methyl-purin-6-amine, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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4YQ0
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![BU of 4yq0 by Molmil](/molmil-images/mine/4yq0) | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds | Descriptor: | 4-amino-N-(4-chlorobenzyl)-1,2,5-oxadiazole-3-carboxamide, tRNA (guanine-N(1)-)-methyltransferase | Authors: | Elkins, P.A, Bonnette, W.G, Stuckey, J.A. | Deposit date: | 2015-03-13 | Release date: | 2016-03-16 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Crystal structure of TrmD, a M1G37 tRNA Methyltransferase with SAM-competitive compounds To be published
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5KT7
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![BU of 5kt7 by Molmil](/molmil-images/mine/5kt7) | Teranry complex of human DNA polymerase iota(1-445) inserting dCMPNPP opposite template G in the presence of Mn2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), DNA (5'-D(P*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (3.151 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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5KT3
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![BU of 5kt3 by Molmil](/molmil-images/mine/5kt3) | Teranry complex of human DNA polymerase iota(26-445) inserting dCMPNPP opposite template G in the presence of Mn2+ | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]cytidine, DNA (5'-D(*CP*TP*GP*GP*GP*GP*TP*CP*CP*T)-3'), DNA (5'-D(P*AP*GP*GP*AP*CP*CP*C)-3'), ... | Authors: | Choi, J.Y, Patra, A, Yeom, M, Lee, Y.S, Zhang, Q, Egli, M, Guengerich, F.P. | Deposit date: | 2016-07-11 | Release date: | 2016-08-31 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.64 Å) | Cite: | Kinetic and Structural Impact of Metal Ions and Genetic Variations on Human DNA Polymerase iota. J.Biol.Chem., 291, 2016
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7U0Y
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6QKF
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7P8A
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![BU of 7p8a by Molmil](/molmil-images/mine/7p8a) | Crystal structure of YTHDC1 with compound YLI_DC1_003 | Descriptor: | SULFATE ION, YTH domain-containing protein 1, ~{N},9-dimethylpurin-6-amine | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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6GHV
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![BU of 6ghv by Molmil](/molmil-images/mine/6ghv) | Structure of a DC-SIGN CRD in complex with high affinity glycomimetic. | Descriptor: | CALCIUM ION, CD209 antigen, CHLORIDE ION, ... | Authors: | Thepaut, M, Achilli, S, Medve, L, Bernardi, A, Fieschi, F. | Deposit date: | 2018-05-09 | Release date: | 2019-09-11 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Enhancing Potency and Selectivity of a DC-SIGN Glycomimetic Ligand by Fragment-Based Design: Structural Basis. Chemistry, 25, 2019
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7ZBC
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![BU of 7zbc by Molmil](/molmil-images/mine/7zbc) | Dark state crystal structure of bovine rhodopsin in Lipidic Cubic Phase (SACLA) | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Gruhl, T, Weinert, T, Rodrigues, M.J, Milne, C, Ortolani, G, Nass, K, Nango, E, Sen, S, Johnson, P, Cirelli, C, Furrer, A, Mous, S, Skopintsev, P, James, D, Dworkowski, F, Baath, P, Kekilli, D, Oserov, D, Tanaka, R, Glover, H, Bacellar, C, Bruenle, S, Casadei, C, Diethelm, A, Gashi, D, Gotthard, G, Guixa-Gonzalez, R, Joti, Y, Kabanova, V, Knopp, G, Lesca, E, Ma, P, Martiel, I, Muehle, J, Owada, S, Pamula, F, Sarabi, S, Tejero, O, Tsai, C.J, Varma, N, Wach, A, Boutet, S, Tono, K, Nogly, P, Deupi, X, Iwata, S, Neutze, R, Standfuss, J, Schertler, G.F.X, Panneels, V. | Deposit date: | 2022-03-23 | Release date: | 2023-03-29 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Ultrafast structural changes direct the first molecular events of vision. Nature, 615, 2023
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7P87
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![BU of 7p87 by Molmil](/molmil-images/mine/7p87) | Crystal structure of YTHDC1 with compound YLI_DC1_001 | Descriptor: | N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide, SULFATE ION, YTH domain-containing protein 1 | Authors: | Bedi, R.K, Li, Y, Dolbois, A, Caflisch, A. | Deposit date: | 2021-07-21 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Structure-based design of ligands of the m6A-RNA reader YTHDC1 Eur J Med Chem Rep, 5, 2022
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7ZFR
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![BU of 7zfr by Molmil](/molmil-images/mine/7zfr) | Crystal structure of HLA-DP (DPA1*02:01-DPB1*01:01) in complex with a peptide bound in the reverse direction | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, MHC class II HLA-DP alpha chain (DPA1*02:01), MHC class II HLA-DP beta chain (DPB1*01:01), ... | Authors: | Racle, J, Guillaume, P, Larabi, A, Lau, K, Pojer, F, Gfeller, D. | Deposit date: | 2022-04-01 | Release date: | 2023-04-12 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Machine learning predictions of MHC-II specificities reveal alternative binding mode of class II epitopes. Immunity, 56, 2023
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