7PHN
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![BU of 7phn by Molmil](/molmil-images/mine/7phn) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2~{R},4~{R})-4-[[(2~{S},4~{S})-4-fluoranylpyrrolidin-2-yl]carbonylamino]-1-(2-methylpropanoyl)-~{N}-[[4-(2-phenylethynyl)phenyl]methyl]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-17 | Release date: | 2022-09-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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7PJG
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![BU of 7pjg by Molmil](/molmil-images/mine/7pjg) | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria | Descriptor: | (2R,4R)-N-[[4-(4-cyclopropylbuta-1,3-diynyl)phenyl]methyl]-1-(2-methylpropanoyl)-4-[[(2S,4R)-4-oxidanylpyrrolidin-2-yl]carbonylamino]pyrrolidine-2-carboxamide, UDP-3-O-acyl-N-acetylglucosamine deacetylase, ZINC ION | Authors: | Ryan, M.D, Pallin, T.D, Lamers, M.B.A.C, Leonard, P.M. | Deposit date: | 2021-08-24 | Release date: | 2022-09-07 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | LpxC Inhibitors With Fluoroproline As A Novel Zinc-Binding Group Can Serve As A Novel Class of Antibiotic With Activity Against Multidrug-Resistant Gram-Negative Bacteria To Be Published
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6F4R
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![BU of 6f4r by Molmil](/molmil-images/mine/6f4r) | Human JMJD5 (N308C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-3) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, JmjC domain-containing protein 5, MANGANESE (II) ION, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2017-11-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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6F4P
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![BU of 6f4p by Molmil](/molmil-images/mine/6f4p) | Human JMJD5 in complex with MN, NOG and RPS6 (129-144) (complex-1) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, JmjC domain-containing protein 5, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2017-11-29 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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6F4T
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![BU of 6f4t by Molmil](/molmil-images/mine/6f4t) | Human JMJD5 (W414C) in complex with Mn(II), NOG and RCCD1 (139-143) (complex-5) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, JmjC domain-containing protein 5, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2017-11-30 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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6F4Q
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![BU of 6f4q by Molmil](/molmil-images/mine/6f4q) | Human JMJD5 (Q275C) in complex with Mn(II), NOG and RPS6-A138C (129-144) (complex-2) | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 40S ribosomal protein S6, GLYCEROL, ... | Authors: | Chowdhury, R, Islam, M.S, Schofield, C.J. | Deposit date: | 2017-11-29 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | JMJD5 is a human arginyl C-3 hydroxylase. Nat Commun, 9, 2018
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1XVP
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![BU of 1xvp by Molmil](/molmil-images/mine/1xvp) | crystal structure of CAR/RXR heterodimer bound with SRC1 peptide, fatty acid and CITCO | Descriptor: | 6-(4-CHLOROPHENYL)IMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBALDEHYDE O-(3,4-DICHLOROBENZYL)OXIME, Orphan nuclear receptor NR1I3, PENTADECANOIC ACID, ... | Authors: | Xu, R.X, Lambert, M.H, Wisely, B.B, Warren, E.N, Weinert, E.E, Waitt, G.M, Williams, J.D, Moore, L.B, Willson, T.M, Moore, J.T. | Deposit date: | 2004-10-28 | Release date: | 2004-12-28 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | A Structural Basis for Constitutive Activity in the Human CAR/RXRalpha Heterodimer. Mol.Cell, 16, 2004
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7BVD
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![BU of 7bvd by Molmil](/molmil-images/mine/7bvd) | Anthranilate synthase component I (TrpE)[Mycolicibacterium smegmatis] | Descriptor: | Anthranilate synthase component 1, BENZOIC ACID, GLYCEROL, ... | Authors: | Chen, Y, Che, S, Zhang, Q, Bartlam, M. | Deposit date: | 2020-04-10 | Release date: | 2020-05-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure of subunit I of the anthranilate synthase complex of Mycolicibacterium smegmatis Biochem.Biophys.Res.Commun., 527, 2020
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5WQN
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![BU of 5wqn by Molmil](/molmil-images/mine/5wqn) | |
7D53
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![BU of 7d53 by Molmil](/molmil-images/mine/7d53) | SpuA mutant - H221N with Glu | Descriptor: | GLUTAMIC ACID, MAGNESIUM ION, Probable glutamine amidotransferase | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa. Acta Crystallogr D Struct Biol, 77, 2021
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7D9F
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![BU of 7d9f by Molmil](/molmil-images/mine/7d9f) | SpdH Spermidine dehydrogenase SeMet Structure | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Che, S, Zhang, Q, Bartlam, M. | Deposit date: | 2020-10-13 | Release date: | 2021-11-17 | Last modified: | 2022-04-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure of Pseudomonas aeruginosa spermidine dehydrogenase: a polyamine oxidase with a novel heme-binding fold. Febs J., 289, 2022
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7EPO
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![BU of 7epo by Molmil](/molmil-images/mine/7epo) | Ketosteroid Isomerase KSI with 5-nitrobenzoxazole (5NBI) | Descriptor: | 5-nitro-1,2-benzoxazole, SnoaL-like domain-containing protein | Authors: | Liang, Y, Zhang, Q, Bartlam, M. | Deposit date: | 2021-04-27 | Release date: | 2021-12-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural characterization and Kemp eliminase activity of the Mycobacterium smegmatis Ketosteroid Isomerase. Biochem.Biophys.Res.Commun., 560, 2021
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3DZD
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![BU of 3dzd by Molmil](/molmil-images/mine/3dzd) | Crystal structure of sigma54 activator NTRC4 in the inactive state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, SODIUM ION, Transcriptional regulator (NtrC family) | Authors: | Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E. | Deposit date: | 2008-07-29 | Release date: | 2008-11-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation. J.Mol.Biol., 384, 2008
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3WE1
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![BU of 3we1 by Molmil](/molmil-images/mine/3we1) | Crystal structure of Dengue 4 Envelope protein domain III (ED3) | Descriptor: | Envelope protein E | Authors: | Elahi, M, Islam, M.M, Noguchi, K, Yohda, M, Toh, H, Kuroda, Y. | Deposit date: | 2013-06-27 | Release date: | 2014-01-22 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.278 Å) | Cite: | Computational prediction and experimental characterization of a "size switch type repacking" during the evolution of dengue envelope protein domain III (ED3). Biochim.Biophys.Acta, 1844, 2014
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3E7L
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![BU of 3e7l by Molmil](/molmil-images/mine/3e7l) | Crystal structure of sigma54 activator NtrC4's DNA binding domain | Descriptor: | Transcriptional regulator (NtrC family), ZINC ION | Authors: | Batchelor, J.D, Doucleff, M, Lee, C.-J, Matsubara, K, De Carlo, S, Heideker, J, Lamers, M.M, Pelton, J.G, Wemmer, D.E. | Deposit date: | 2008-08-18 | Release date: | 2008-11-25 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.252 Å) | Cite: | Structure and regulatory mechanism of Aquifex aeolicus NtrC4: variability and evolution in bacterial transcriptional regulation. J.Mol.Biol., 384, 2008
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1PDU
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![BU of 1pdu by Molmil](/molmil-images/mine/1pdu) | Ligand-binding domain of Drosophila orphan nuclear receptor DHR38 | Descriptor: | nuclear hormone receptor HR38 | Authors: | Baker, K.D, Shewchuk, L.M, Korlova, T, Makishima, M, Hassell, A.M, Wisely, B, Caravella, J.A, Lambert, M.H, Wilson, T.M, Mangelsdorf, D.J. | Deposit date: | 2003-05-20 | Release date: | 2003-06-10 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Drosophila orphan nuclear receptor DHR38 mediates an atypical ecdysteroid signaling pathway. Cell(Cambridge,Mass.), 113, 2003
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2A1H
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![BU of 2a1h by Molmil](/molmil-images/mine/2a1h) | X-ray crystal structure of human mitochondrial branched chain aminotransferase (BCATm) complexed with gabapentin | Descriptor: | ACETIC ACID, PYRIDOXAL-5'-PHOSPHATE, [1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID, ... | Authors: | Goto, M, Miyahara, I, Hirotsu, K, Conway, M, Yennawar, N, Islam, M.M, Hutson, S.M. | Deposit date: | 2005-06-20 | Release date: | 2005-09-06 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural determinants for branched-chain aminotransferase isozyme-specific inhibition by the anticonvulsant drug gabapentin. J.Biol.Chem., 280, 2005
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5A2S
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![BU of 5a2s by Molmil](/molmil-images/mine/5a2s) | Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors | Descriptor: | (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... | Authors: | Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. | Deposit date: | 2015-05-22 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
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7D4R
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![BU of 7d4r by Molmil](/molmil-images/mine/7d4r) | SpuA native structure | Descriptor: | MAGNESIUM ION, Probable glutamine amidotransferase | Authors: | Chen, Y, Zhang, Q, Bartlam, M. | Deposit date: | 2020-09-24 | Release date: | 2021-10-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa. Acta Crystallogr D Struct Biol, 77, 2021
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5FR1
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![BU of 5fr1 by Molmil](/molmil-images/mine/5fr1) | Double acetylated RhoGDI-alpha in complex with RhoA-GDP | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, RHO GDP-DISSOCIATION INHIBITOR 1, ... | Authors: | Kuhlmann, N, Wroblowski, S, Lammers, M. | Deposit date: | 2015-12-15 | Release date: | 2016-01-13 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.75 Å) | Cite: | Rhogdi Alpha Acetylation at K127 and K141 Affects Binding Towards Non-Prenylated Rhoa. Biochemistry, 55, 2016
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7E7G
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![BU of 7e7g by Molmil](/molmil-images/mine/7e7g) | |
7ATL
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![BU of 7atl by Molmil](/molmil-images/mine/7atl) | EstCE1, a hydrolase with promiscuous acyltransferase activity | Descriptor: | 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Esterase, ... | Authors: | Palm, G.J, Lammers, M, Berndt, L. | Deposit date: | 2020-10-30 | Release date: | 2020-11-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.478 Å) | Cite: | Discovery and Design of Family VIII Carboxylesterases as Highly Efficient Acyltransferases. Angew.Chem.Int.Ed.Engl., 60, 2021
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7AH1
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![BU of 7ah1 by Molmil](/molmil-images/mine/7ah1) | L19 diabody fragment from immunocytokine L19-IL2 | Descriptor: | Anti-(ED-B) scFV | Authors: | Ongaro, T, Guarino, S.R, Scietti, L, Palamini, M, Wulhfard, S, Villa, A, Neri, D, Forneris, F. | Deposit date: | 2020-09-23 | Release date: | 2021-02-10 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inference of molecular structure for characterization and improvement of clinical grade immunocytokines. J.Struct.Biol., 213, 2021
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7AI7
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![BU of 7ai7 by Molmil](/molmil-images/mine/7ai7) | MutS in Intermediate state | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, DNA (5'-D(P*CP*TP*TP*AP*GP*CP*TP*TP*AP*GP*GP*AP*TP*C)-3'), DNA (5'-D(P*GP*AP*TP*CP*CP*TP*AP*AP*CP*TP*AP*AP*G)-3'), ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (3.9 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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7AIB
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![BU of 7aib by Molmil](/molmil-images/mine/7aib) | MutS-MutL in clamp state | Descriptor: | DNA (30-MER), DNA mismatch repair protein MutL, DNA mismatch repair protein MutS, ... | Authors: | Fernandez-Leiro, R, Bhairosing-Kok, D, Sixma, T.K, Lamers, M.H. | Deposit date: | 2020-09-26 | Release date: | 2021-03-31 | Last modified: | 2024-05-01 | Method: | ELECTRON MICROSCOPY (4.7 Å) | Cite: | The selection process of licensing a DNA mismatch for repair. Nat.Struct.Mol.Biol., 28, 2021
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