6AYR
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![BU of 6ayr by Molmil](/molmil-images/mine/6ayr) | Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine nucleosidase (MTAN) complexed with butylthio-DADMe-Immucillin-A | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol, 1,2-ETHANEDIOL, 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2017-09-08 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Transition-State Analogues of Campylobacter jejuni 5'-Methylthioadenosine Nucleosidase. ACS Chem. Biol., 13, 2018
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6NLT
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![BU of 6nlt by Molmil](/molmil-images/mine/6nlt) | Apo structure of the T130K mutant of ANT-4 | Descriptor: | CALCIUM ION, Kanamycin nucleotidyltransferase | Authors: | Selvaraj, B, Cuneo, M.J. | Deposit date: | 2019-01-09 | Release date: | 2020-01-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Catch and release: A novel variation of the archetypal nucleotidyl transfer reaction To be published
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6NLZ
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![BU of 6nlz by Molmil](/molmil-images/mine/6nlz) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D | Descriptor: | ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-10 | Release date: | 2020-01-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with fragment degradation product B9D To Be Published
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8Q3D
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6PSL
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![BU of 6psl by Molmil](/molmil-images/mine/6psl) | Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue | Descriptor: | CHLORIDE ION, teixobactin analogue | Authors: | Nowick, J.S, Yang, H, Pishenko, A, Li, X. | Deposit date: | 2019-07-12 | Release date: | 2019-11-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin. J.Org.Chem., 85, 2020
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7O4Z
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![BU of 7o4z by Molmil](/molmil-images/mine/7o4z) | Crystal structure of the carbonic anhydrase-like domain of CcmM from Synechococcus elongatus (strain PCC 7942) | Descriptor: | CHLORIDE ION, Carboxysome assembly protein CcmM, NICKEL (II) ION | Authors: | Zang, K, Wang, H, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2021-04-07 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Scaffolding protein CcmM directs multiprotein phase separation in beta-carboxysome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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7TO7
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![BU of 7to7 by Molmil](/molmil-images/mine/7to7) | |
6BA4
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![BU of 6ba4 by Molmil](/molmil-images/mine/6ba4) | Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor | Descriptor: | ACETYL COENZYME *A, Histone acetyltransferase KAT8, S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate, ... | Authors: | Hermans, S.J, Chung, M.C, Peat, T.S, Baell, J.B, Thomas, T, Parker, M.W. | Deposit date: | 2017-10-12 | Release date: | 2018-08-01 | Last modified: | 2020-01-08 | Method: | X-RAY DIFFRACTION (1.949 Å) | Cite: | Inhibitors of histone acetyltransferases KAT6A/B induce senescence and arrest tumour growth. Nature, 560, 2018
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6NN0
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![BU of 6nn0 by Molmil](/molmil-images/mine/6nn0) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and fragment degradation product B9D | Descriptor: | 4-AMINO-1-BETA-D-RIBOFURANOSYL-2(1H)-PYRIMIDINONE, ATP-dependent dethiobiotin synthetase BioD, SULFATE ION, ... | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-01-14 | Release date: | 2020-01-22 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.343 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with 2'-deoxycytidine and B9D To Be Published
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5CML
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![BU of 5cml by Molmil](/molmil-images/mine/5cml) | Crystal structure of the Esterase domain from Rhodothermus marinus Rmar_1206 protein | Descriptor: | OsmC family protein, TRIETHYLENE GLYCOL | Authors: | Marles-Wright, J, Wardrope, C, Jensen, M.-B.V, Horsfall, L.E, Togneri, P.D, Rosser, S.J. | Deposit date: | 2015-07-16 | Release date: | 2016-07-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Characterisation of a New Family of Carboxyl Esterases with an OsmC Domain. Plos One, 11, 2016
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6BAB
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![BU of 6bab by Molmil](/molmil-images/mine/6bab) | The structure of human CamKII with bound inhibitor | Descriptor: | Calcium/calmodulin-dependent protein kinase type II subunit delta, L(+)-TARTARIC ACID, N-[(2S)-2-(diethylamino)propyl]-2-(3-hydroxyazetidin-1-yl)-6-[5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine-4-carboxamide | Authors: | Somoza, J.R, Villasenor, A.G. | Deposit date: | 2017-10-12 | Release date: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | TBD To Be Published
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6QA3
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![BU of 6qa3 by Molmil](/molmil-images/mine/6qa3) | ERK2 mini-fragment binding | Descriptor: | Mitogen-activated protein kinase 1, PYRAZOLE, SULFATE ION | Authors: | O'Reilly, M, Cleasby, A, Davies, T.G, Hall, R, Ludlow, F, Murray, C.W, Tisi, D, Jhoti, H. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Crystallographic screening using ultra-low-molecular-weight ligands to guide drug design. Drug Discov Today, 24, 2019
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5C5W
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![BU of 5c5w by Molmil](/molmil-images/mine/5c5w) | 1.25 A resolution structure of an RNA 20-mer | Descriptor: | RNA (5'-R(P*CP*CP*UP*GP*AP*GP*UP*UP*CP*AP*AP*UP*UP*CP*UP*AP*GP*CP*G)-3') | Authors: | Stewart, M, Valkov, E. | Deposit date: | 2015-06-22 | Release date: | 2015-10-14 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | 1.25 angstrom resolution structure of an RNA 20-mer that binds to the TREX2 complex. Acta Crystallogr.,Sect.F, 71, 2015
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6QA7
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![BU of 6qa7 by Molmil](/molmil-images/mine/6qa7) | Glycogen Phosphorylase b in complex with 29 | Descriptor: | (5~{S},7~{R},8~{S},9~{S},10~{R})-7-(hydroxymethyl)-2-naphthalen-1-yl-8,9,10-tris(oxidanyl)-6-oxa-1,3-diazaspiro[4.5]dec-1-en-4-one, Glycogen phosphorylase, muscle form, ... | Authors: | Kyriakis, E, Stravodimos, G.A, Skamnaki, V.T, Leonidas, D.D. | Deposit date: | 2018-12-18 | Release date: | 2019-06-26 | Last modified: | 2019-07-24 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Glucopyranosylidene-spiro-imidazolinones, a New Ring System: Synthesis and Evaluation as Glycogen Phosphorylase Inhibitors by Enzyme Kinetics and X-ray Crystallography. J.Med.Chem., 62, 2019
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6NNH
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![BU of 6nnh by Molmil](/molmil-images/mine/6nnh) | Structure of Closed state of Dihydrofolate reductase from Mycobacterium tuberculosis in complex with NADPH and cycloguanil | Descriptor: | 1-(4-chlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine, COBALT (II) ION, Dihydrofolate reductase, ... | Authors: | Giudice, J.H.P, Ribeiro, J.A, Dias, M.V.B. | Deposit date: | 2019-01-15 | Release date: | 2019-07-17 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.523 Å) | Cite: | Crystal structures of the closed form of Mycobacterium tuberculosis dihydrofolate reductase in complex with dihydrofolate and antifolates. Acta Crystallogr D Struct Biol, 75, 2019
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6W10
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6NNP
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7UNY
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![BU of 7uny by Molmil](/molmil-images/mine/7uny) | Crystal structure of D2 nanobody in complex with PfCSS | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Cysteine-rich small secreted protein CSS, ... | Authors: | Scally, S.W, Lim, P.S, Cowman, A.F. | Deposit date: | 2022-04-12 | Release date: | 2022-11-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (4.13 Å) | Cite: | PCRCR complex is essential for invasion of human erythrocytes by Plasmodium falciparum. Nat Microbiol, 7, 2022
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7O54
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![BU of 7o54 by Molmil](/molmil-images/mine/7o54) | Crystal structure of the carbonic anhydrase-like domain of CcmM in complex with the C-terminal 17 residues of CcaA from Synechococcus elongatus (strain PCC 7942) | Descriptor: | CHLORIDE ION, Carbonic anhydrase, Carboxysome assembly protein CcmM, ... | Authors: | Zang, K, Wang, H, Hartl, F.U, Hayer-Hartl, M. | Deposit date: | 2021-04-07 | Release date: | 2021-11-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Scaffolding protein CcmM directs multiprotein phase separation in beta-carboxysome biogenesis. Nat.Struct.Mol.Biol., 28, 2021
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6PX6
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![BU of 6px6 by Molmil](/molmil-images/mine/6px6) | HLA-TCR complex | Descriptor: | DQ2.2-glut-L1, HLA class II histocompatibility antigen DQ alpha chain, HLA class II histocompatibility antigen DQ beta chain, ... | Authors: | Ting, Y.T, Reid, H.H, Rossjohn, J. | Deposit date: | 2019-07-24 | Release date: | 2020-01-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.00000334 Å) | Cite: | A molecular basis for the T cell response in HLA-DQ2.2 mediated celiac disease. Proc.Natl.Acad.Sci.USA, 117, 2020
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6PXX
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![BU of 6pxx by Molmil](/molmil-images/mine/6pxx) | Class D beta-lactamase in complex with beta-lactam antibiotic | Descriptor: | (2~{S},3~{R})-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | Authors: | van den Akker, F, Kumar, V. | Deposit date: | 2019-07-28 | Release date: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural Analysis of The OXA-48 Carbapenemase Bound to A "Poor" Carbapenem Substrate, Doripenem. Antibiotics, 8, 2019
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8DQG
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![BU of 8dqg by Molmil](/molmil-images/mine/8dqg) | Crystal structure of pyrrolysyl-tRNA synthetase from Methanomethylophilus alvus engineered for acridone amino acid (RS1) bound to AMPPNP and acridone | Descriptor: | (2~{S})-2-azanyl-3-(9-oxidanylidene-10~{H}-acridin-2-yl)propanoic acid, AA_TRNA_LIGASE_II domain-containing protein, DI(HYDROXYETHYL)ETHER, ... | Authors: | Gottfried-Lee, I, Karplus, P.A, Mehl, R.A, Cooley, R.B. | Deposit date: | 2022-07-19 | Release date: | 2022-12-07 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Structures of Methanomethylophilus alvus Pyrrolysine tRNA-Synthetases Support the Need for De Novo Selections When Altering the Substrate Specificity. Acs Chem.Biol., 17, 2022
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8Q3S
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6VLL
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![BU of 6vll by Molmil](/molmil-images/mine/6vll) | The crystal structure of the 2009/H1N1/California PA endonuclease mutant I38T in complex with SJ000986213 | Descriptor: | MANGANESE (II) ION, Polymerase acidic protein, SULFATE ION, ... | Authors: | Cuypers, M.G, Slavish, P.J, Rankovic, Z, White, S.W. | Deposit date: | 2020-01-24 | Release date: | 2021-02-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.87 Å) | Cite: | The crystal structure of the 2009 H1N1 PA endonuclease mutant I38T in complex with SJ000986213 To Be Published
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7OG2
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![BU of 7og2 by Molmil](/molmil-images/mine/7og2) | |