8CXW
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![BU of 8cxw by Molmil](/molmil-images/mine/8cxw) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Inhibitor piclidenoson (Compound 4) | Descriptor: | 1,2-ETHANEDIOL, DNA Strand 1, DNA Strand 2, ... | Authors: | Horton, J.R, Zhou, J, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.78 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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8CY4
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![BU of 8cy4 by Molmil](/molmil-images/mine/8cy4) | CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Compound 16 | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*GP*GP*GP*AP*CP*TP*TP*TP*TP*TP*GP*A)-3'), N-[3-(4-hydroxyphenyl)propyl]adenosine, ... | Authors: | Zhou, J, Horton, J.R, Cheng, X. | Deposit date: | 2022-05-22 | Release date: | 2023-01-11 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.34 Å) | Cite: | Systematic Design of Adenosine Analogs as Inhibitors of a Clostridioides difficile- Specific DNA Adenine Methyltransferase Required for Normal Sporulation and Persistence. J.Med.Chem., 66, 2023
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6JAU
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![BU of 6jau by Molmil](/molmil-images/mine/6jau) | The complex structure of Pseudomonas aeruginosa MucA/MucB. | Descriptor: | CALCIUM ION, GLYCEROL, HEXAETHYLENE GLYCOL, ... | Authors: | Li, T, He, L.H, Li, C.C, Liu, L, Peng, C.T, Shen, Y.L, Qin, X.F, Xiao, Q.J, Zhu, Y.B, Song, Y.J, Zhao, N.l, Zhao, C, Yang, J, Mu, X.Y, Huang, Q, Bao, R. | Deposit date: | 2019-01-25 | Release date: | 2020-01-29 | Last modified: | 2020-08-19 | Method: | X-RAY DIFFRACTION (1.905 Å) | Cite: | Molecular basis of the lipid-induced MucA-MucB dissociation in Pseudomonas aeruginosa. Commun Biol, 3, 2020
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8DL6
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![BU of 8dl6 by Molmil](/molmil-images/mine/8dl6) | Cryo-EM structure of human ferroportin/slc40 bound to Ca2+ in nanodisc | Descriptor: | 11F9 heavy-chain, 11F9 light-chain, CALCIUM ION, ... | Authors: | Shen, J, Wilbon, A.S, Pan, Y, Zhou, M. | Deposit date: | 2022-07-07 | Release date: | 2023-01-25 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Mechanism of Ca 2+ transport by ferroportin. Elife, 12, 2023
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4XZE
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![BU of 4xze by Molmil](/molmil-images/mine/4xze) | The crystal structure of Hazara virus nucleoprotein | Descriptor: | Nucleoprotein | Authors: | Guo, Y, Wang, W, Liu, X, Wang, X, Wang, J, Huo, T, Liu, B. | Deposit date: | 2015-02-04 | Release date: | 2015-09-02 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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4Y0A
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![BU of 4y0a by Molmil](/molmil-images/mine/4y0a) | Shikimate kinase from Acinetobacter baumannii in complex with shikimate | Descriptor: | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID, SULFATE ION, Shikimate kinase | Authors: | Sutton, K.A, Breen, J, MacDonald, U, Beanan, J.M, Olson, R, Russo, T.A, Schultz, L.W, Umland, T.C. | Deposit date: | 2015-02-05 | Release date: | 2015-08-12 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.911 Å) | Cite: | Structure of shikimate kinase, an in vivo essential metabolic enzyme in the nosocomial pathogen Acinetobacter baumannii, in complex with shikimate. Acta Crystallogr.,Sect.D, 71, 2015
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4D5Q
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![BU of 4d5q by Molmil](/molmil-images/mine/4d5q) | Hypocrea jecorina Cel7A (wild type) soaked with xylopentaose. | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CELLULOSE 1,4-BETA-CELLOBIOSIDASE, COBALT (II) ION, ... | Authors: | Momeni, M.H, Stahlberg, J, Hansson, H. | Deposit date: | 2014-11-07 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Structural Insights Into the Inhibition of Cellobiohydrolase Cel7A by Xylooligosaccharides. FEBS J., 282, 2015
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4XPD
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![BU of 4xpd by Molmil](/molmil-images/mine/4xpd) | |
4IKG
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![BU of 4ikg by Molmil](/molmil-images/mine/4ikg) | |
4XRM
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![BU of 4xrm by Molmil](/molmil-images/mine/4xrm) | homodimer of TALE type homeobox transcription factor MEIS1 complexes with specific DNA | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, DNA (5'-D(P*AP*GP*CP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*AP*G)-3'), DNA (5'-D(P*TP*CP*TP*TP*GP*AP*CP*AP*GP*CP*TP*GP*TP*CP*AP*GP*C)-3'), ... | Authors: | Morgunova, E, Jorma, A, Yin, Y, Nitta, K.R, Dave, K, Enge, M, Kivioja, T, Popov, A, Taipale, J. | Deposit date: | 2015-01-21 | Release date: | 2015-11-04 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | DNA-dependent formation of transcription factor pairs alters their binding specificity. Nature, 527, 2015
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8CX3
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![BU of 8cx3 by Molmil](/molmil-images/mine/8cx3) | Crystal structure of full-length mesothelin | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | Authors: | Zhan, J, Esser, L, Xia, D. | Deposit date: | 2022-05-19 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.609 Å) | Cite: | Structures of Cancer Antigen Mesothelin and Its Complexes with Therapeutic Antibodies. Cancer Res Commun, 3, 2023
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5MPV
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8D1T
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![BU of 8d1t by Molmil](/molmil-images/mine/8d1t) | Crystal structure of human USP30 in complex with a covalent inhibitor 552 and a Fab | Descriptor: | (1R,2R,4S,7E)-7-[amino(sulfanyl)methylidene]-2-{[(1P)-3-chloro-3'-(1-cyanocyclopropyl)[1,1'-biphenyl]-4-carbonyl]amino}-7-azabicyclo[2.2.1]heptan-7-ium, 1,2-ETHANEDIOL, Ubiquitin carboxyl-terminal hydrolase 30, ... | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | Deposit date: | 2022-05-27 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.94 Å) | Cite: | TBD To Be Published
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4XUX
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![BU of 4xux by Molmil](/molmil-images/mine/4xux) | Structure of ampC bound to RPX-7009 at 1.75 A | Descriptor: | 1,2-ETHANEDIOL, 2-(2-METHOXYETHOXY)ETHANOL, Beta-lactamase, ... | Authors: | Clifton, M.C, Abendroth, J. | Deposit date: | 2015-01-26 | Release date: | 2015-04-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Discovery of a Cyclic Boronic Acid beta-Lactamase Inhibitor (RPX7009) with Utility vs Class A Serine Carbapenemases. J.Med.Chem., 58, 2015
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4C5W
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![BU of 4c5w by Molmil](/molmil-images/mine/4c5w) | Three dimensional structure of human gamma-butyrobetaine hydroxylase in complex with 4-(Ethyldimethylammonio)butanoate | Descriptor: | GAMMA-BUTYROBETAINE DIOXYGENASE, HEXANE-1,6-DIAMINE, N-OXALYLGLYCINE, ... | Authors: | Tars, K, Leitans, J, Kazaks, A. | Deposit date: | 2013-09-16 | Release date: | 2014-03-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Targeting Carnitine Biosynthesis: Discovery of New Inhibitors Against Gamma-Butyrobetaine Hydroxylase. J.Med.Chem., 57, 2014
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4XVO
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![BU of 4xvo by Molmil](/molmil-images/mine/4xvo) | L,D-transpeptidase from Mycobacterium smegmatis | Descriptor: | L,D-transpeptidase, PHOSPHATE ION | Authors: | Osipiuk, J, Wu, R, Endres, M, Joachimiak, A, Midwest Center for Structural Genomics (MCSG) | Deposit date: | 2015-01-27 | Release date: | 2015-02-11 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | L,D-transpeptidase from Mycobacterium smegmatis to be published
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8D0A
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![BU of 8d0a by Molmil](/molmil-images/mine/8d0a) | Crystal structure of human USP30 in complex with a covalent inhibitor 829 and a Fab | Descriptor: | Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, mouse anti-huUSP30 Fab heavy chain, ... | Authors: | Song, X, Butler, J, Li, C, Zhang, K, Zhang, D, Hao, Y. | Deposit date: | 2022-05-25 | Release date: | 2023-02-01 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.19 Å) | Cite: | TBD To Be Published
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4XXU
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![BU of 4xxu by Molmil](/molmil-images/mine/4xxu) | ModA - chromate bound | Descriptor: | Chromate, Molybdate-binding periplasmic protein | Authors: | He, C, Karpus, J, Ajiboye, I. | Deposit date: | 2015-01-30 | Release date: | 2016-09-14 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.43 Å) | Cite: | Structure of chromate bound ModA from E.coli at 1.43 Angstroms resolution. To Be Published
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4XQT
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4XZH
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![BU of 4xzh by Molmil](/molmil-images/mine/4xzh) | Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | Descriptor: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | Authors: | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | Deposit date: | 2015-02-04 | Release date: | 2015-11-18 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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1RA1
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![BU of 1ra1 by Molmil](/molmil-images/mine/1ra1) | |
1RA3
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![BU of 1ra3 by Molmil](/molmil-images/mine/1ra3) | |
1RA2
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1RA8
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![BU of 1ra8 by Molmil](/molmil-images/mine/1ra8) | |
4C69
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![BU of 4c69 by Molmil](/molmil-images/mine/4c69) | ATP binding to murine voltage-dependent anion channel 1 (mVDAC1). | Descriptor: | 1,2-DIMYRISTOYL-RAC-GLYCERO-3-PHOSPHOCHOLINE, ADENOSINE-5'-TRIPHOSPHATE, LAURYL DIMETHYLAMINE-N-OXIDE, ... | Authors: | Paz, A, Colletier, J.P, Abramson, J. | Deposit date: | 2013-09-17 | Release date: | 2014-06-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.277 Å) | Cite: | Structure-Guided Simulations Illuminate the Mechanism of ATP Transport Through Vdac1. Nat.Struct.Mol.Biol., 21, 2014
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