7NCF
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![BU of 7ncf by Molmil](/molmil-images/mine/7ncf) | Crystal structure of HIPK2 in complex with MU135 (compound 21e) | Descriptor: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine, Homeodomain-interacting protein kinase 2 | Authors: | Chaikuad, A, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2021-01-28 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.72 Å) | Cite: | Highly selective inhibitors of protein kinases CLK and HIPK with the furo[3,2-b]pyridine core. Eur.J.Med.Chem., 215, 2021
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5IJG
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![BU of 5ijg by Molmil](/molmil-images/mine/5ijg) | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution | Descriptor: | Cys/Met metabolism pyridoxal-phosphate-dependent enzyme, GLYCEROL, PYRIDOXAL-5'-PHOSPHATE | Authors: | Boyko, K.M, Nikolaeva, A.Y, Koolikova, V.V, Kotlov, M.I, Demidkina, T.V, Popov, V.O. | Deposit date: | 2016-03-02 | Release date: | 2017-04-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of O-acetylhomoserine sulfhydrolase from Brucella melitensis at 2.0 A resolution To Be Published
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6DYC
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![BU of 6dyc by Molmil](/molmil-images/mine/6dyc) | Co(II)-bound structure of the engineered cyt cb562 variant, CH3 | Descriptor: | CALCIUM ION, COBALT (II) ION, HEME C, ... | Authors: | Tezcan, F.A, Rittle, J. | Deposit date: | 2018-07-01 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.33 Å) | Cite: | An efficient, step-economical strategy for the design of functional metalloproteins. Nat.Chem., 11, 2019
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5X1M
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![BU of 5x1m by Molmil](/molmil-images/mine/5x1m) | Vanillate/3-O-methylgallate O-demethylase, LigM, protocatechuate-tetrahydrofolate complex form | Descriptor: | (6S)-5,6,7,8-TETRAHYDROFOLATE, 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Harada, A, Senda, T. | Deposit date: | 2017-01-26 | Release date: | 2017-05-17 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The crystal structure of a new O-demethylase from Sphingobium sp. strain SYK-6 FEBS J., 284, 2017
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6DYZ
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![BU of 6dyz by Molmil](/molmil-images/mine/6dyz) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
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6DYR
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![BU of 6dyr by Molmil](/molmil-images/mine/6dyr) | C-terminal condensation domain of Ebony in complex with Carcinine | Descriptor: | Ebony, N-[2-(1H-imidazol-5-yl)ethyl]-beta-alaninamide | Authors: | Izore, T, Tailhades, J, Hansen, M.H, Kaczmarski, J.A, Jackson, C.J, Cryle, M.J. | Deposit date: | 2018-07-02 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.45 Å) | Cite: | Drosophila melanogasternonribosomal peptide synthetase Ebony encodes an atypical condensation domain. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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7NBD
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![BU of 7nbd by Molmil](/molmil-images/mine/7nbd) | Crystal structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen. | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, GLYCEROL, ... | Authors: | Koulouris, C.R, Roe, S.M. | Deposit date: | 2021-01-26 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.865 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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6DZ2
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![BU of 6dz2 by Molmil](/molmil-images/mine/6dz2) | Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3R,4S)-1-((4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl)-4-(((3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl)thio)methyl)pyrrolidin-3-ol | Descriptor: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol, 1,2-ETHANEDIOL, ACETIC ACID, ... | Authors: | Harijan, R.K, Ducati, R.G, Bonanno, J.B, Almo, S.C, Schramm, V.L. | Deposit date: | 2018-07-02 | Release date: | 2019-03-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Selective Inhibitors of Helicobacter pylori Methylthioadenosine Nucleosidase and Human Methylthioadenosine Phosphorylase. J. Med. Chem., 62, 2019
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6DZQ
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![BU of 6dzq by Molmil](/molmil-images/mine/6dzq) | The N-terminal domain of PA endonuclease from the influenza H1N1 virus in complex with 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid, MANGANESE (II) ION, ... | Authors: | Dick, B.L, Morrison, C.N, Cohen, S.M. | Deposit date: | 2018-07-05 | Release date: | 2018-11-07 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure-Activity Relationships in Metal-Binding Pharmacophores for Influenza Endonuclease. J. Med. Chem., 61, 2018
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6E0O
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![BU of 6e0o by Molmil](/molmil-images/mine/6e0o) | Structure of Elizabethkingia meningoseptica CdnE cyclic dinucleotide synthase with pppA[3'-5']pA | Descriptor: | MAGNESIUM ION, RNA (5'-D(*(ATP))-R(P*A)-3'), cGAS/DncV-like nucleotidyltransferase in E. coli homolog | Authors: | Eaglesham, J.B, Whiteley, A.T, de Oliveira Mann, C.C, Morehouse, B.R, Nieminen, E.A, King, D.S, Lee, A.S.Y, Mekalanos, J.J, Kranzusch, P.J. | Deposit date: | 2018-07-06 | Release date: | 2019-02-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Bacterial cGAS-like enzymes synthesize diverse nucleotide signals. Nature, 567, 2019
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5X2H
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![BU of 5x2h by Molmil](/molmil-images/mine/5x2h) | Crystal structure of Campylobacter jejuni Cas9 in complex with sgRNA and target DNA (AGAAACA PAM) | Descriptor: | 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, Non-target DNA strand, ... | Authors: | Yamada, M, Watanabe, Y, Hirano, H, Nakane, T, Ishitani, R, Nishimasu, H, Nureki, O. | Deposit date: | 2017-01-31 | Release date: | 2017-03-29 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of the Minimal Cas9 from Campylobacter jejuni Reveals the Molecular Diversity in the CRISPR-Cas9 Systems Mol. Cell, 65, 2017
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7NBC
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![BU of 7nbc by Molmil](/molmil-images/mine/7nbc) | Crystal structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen. | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, CALCIUM ION, ... | Authors: | Koulouris, C.R, Roe, S.M. | Deposit date: | 2021-01-26 | Release date: | 2021-03-03 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | Tyrosine 121 moves revealing a ligandable pocket that couples catalysis to ATP-binding in serine racemase. Commun Biol, 5, 2022
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5IFF
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![BU of 5iff by Molmil](/molmil-images/mine/5iff) | Crystal structure of R.PabI-nonspecific DNA complex | Descriptor: | DNA (5'-D(*GP*CP*AP*CP*TP*AP*GP*TP*TP*CP*GP*AP*AP*CP*TP*AP*GP*TP*GP*C)-3'), Uncharacterized protein | Authors: | Wang, D, Miyazono, K, Tanokura, M. | Deposit date: | 2016-02-26 | Release date: | 2016-11-23 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Tetrameric structure of the restriction DNA glycosylase R.PabI in complex with nonspecific double-stranded DNA. Sci Rep, 6, 2016
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6HX3
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![BU of 6hx3 by Molmil](/molmil-images/mine/6hx3) | PDX1.2/PDX1.3 complex | Descriptor: | Pyridoxal 5'-phosphate synthase subunit PDX1.3, Pyridoxal 5'-phosphate synthase-like subunit PDX1.2, SULFATE ION | Authors: | Robinson, G.C, Kaufmann, M, Roux, C, Martinez-Font, J, Hothorn, M, Thore, S, Fitzpatrick, T.B. | Deposit date: | 2018-10-15 | Release date: | 2019-04-17 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the pseudoenzyme PDX1.2 in complex with its cognate enzyme PDX1.3: a total eclipse. Acta Crystallogr D Struct Biol, 75, 2019
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5IFR
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![BU of 5ifr by Molmil](/molmil-images/mine/5ifr) | Structure of the stable UBE2D3-UbDha conjugate | Descriptor: | GLYCEROL, Polyubiquitin-B, Ubiquitin-conjugating enzyme E2 D3 | Authors: | Pruneda, J.N, Mulder, M.P.C, Witting, K, Ovaa, H, Komander, D. | Deposit date: | 2016-02-26 | Release date: | 2016-05-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | A cascading activity-based probe sequentially targets E1-E2-E3 ubiquitin enzymes. Nat.Chem.Biol., 12, 2016
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6HXM
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5IQE
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![BU of 5iqe by Molmil](/molmil-images/mine/5iqe) | Aminoglycoside Phosphotransferase (2'')-Ia (CTD of AAC(6')-Ie/APH(2'')-Ia) in complex with GMPPNP, Magnesium, and Neomycin B | Descriptor: | Bifunctional AAC/APH, GLYCEROL, MAGNESIUM ION, ... | Authors: | Caldwell, S.J, Berghuis, A.M. | Deposit date: | 2016-03-10 | Release date: | 2016-05-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Antibiotic Binding Drives Catalytic Activation of Aminoglycoside Kinase APH(2)-Ia. Structure, 24, 2016
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6HXV
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5IG8
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![BU of 5ig8 by Molmil](/molmil-images/mine/5ig8) | |
6HYS
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![BU of 6hys by Molmil](/molmil-images/mine/6hys) | Crystal structure of DHX8 helicase domain bound to ADP at 2.6 angstrom | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, ... | Authors: | Felisberto-Rodrigues, C, Thomas, J.C, McAndrew, P.C, Le Bihan, Y.V, Burke, R, Workman, P, van Montfort, R.L.M. | Deposit date: | 2018-10-22 | Release date: | 2019-08-28 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional characterisation of human RNA helicase DHX8 provides insights into the mechanism of RNA-stimulated ADP release. Biochem.J., 476, 2019
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6HZH
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5IGO
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![BU of 5igo by Molmil](/molmil-images/mine/5igo) | |
5W91
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![BU of 5w91 by Molmil](/molmil-images/mine/5w91) | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 | Descriptor: | 1-tert-butyl-N~3~-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-3,4-diamine, CALCIUM ION, Calmodulin-domain protein kinase 1 | Authors: | El Bakkouri, M, Lovato, D, Loppnau, P, Lin, Y.H, Rutaganaria, F, Lopez, M.S, Shokat, L, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Sibley, D, Hui, R, Walker, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2017-06-22 | Release date: | 2017-08-30 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Toxoplasma Gondii CDPK1 in complex with inhibitor LZH118 To be published
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6HZP
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5IHE
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![BU of 5ihe by Molmil](/molmil-images/mine/5ihe) | D-family DNA polymerase - DP1 subunit (3'-5' proof-reading exonuclease) | Descriptor: | 1,2-ETHANEDIOL, 2'-DEOXYADENOSINE-5'-MONOPHOSPHATE, ACETATE ION, ... | Authors: | Sauguet, L, Raia, P, De Larue, M. | Deposit date: | 2016-02-29 | Release date: | 2016-08-31 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Shared active site architecture between archaeal PolD and multi-subunit RNA polymerases revealed by X-ray crystallography. Nat Commun, 7, 2016
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