4X8K
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![BU of 4x8k by Molmil](/molmil-images/mine/4x8k) | Mycobacterium tuberculosis RbpA-SID in complex with SigmaA domain 2 | Descriptor: | 1,2-ETHANEDIOL, RNA polymerase sigma factor SigA, RNA polymerase-binding protein RbpA, ... | Authors: | Hubin, E.A, Flack, J.E, Tabib-Salazar, A, Paget, M.S, Darst, S.A, Campbell, E.A. | Deposit date: | 2014-12-10 | Release date: | 2015-06-03 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.202 Å) | Cite: | Structural, functional, and genetic analyses of the actinobacterial transcription factor RbpA. Proc.Natl.Acad.Sci.USA, 112, 2015
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7RPT
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6Q7J
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![BU of 6q7j by Molmil](/molmil-images/mine/6q7j) | GH3 exo-beta-xylosidase (XlnD) in complex with xylobiose aziridine activity based probe | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Davies, G.J, Rowland, R.J, Wu, L, Moroz, O, Blagova, E. | Deposit date: | 2018-12-13 | Release date: | 2019-06-05 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Dynamic and Functional Profiling of Xylan-Degrading Enzymes inAspergillusSecretomes Using Activity-Based Probes. Acs Cent.Sci., 5, 2019
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6W24
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![BU of 6w24 by Molmil](/molmil-images/mine/6w24) | ClpA Engaged2 State bound to RepA-GFP (Focused Classification) | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ATP-dependent Clp protease ATP-binding subunit ClpA, ... | Authors: | Lopez, K.L, Rizo, A.N, Tse, E, Lin, J, Scull, N.W, Thwin, A.C, Lucius, A.L, Shorter, J, Southworth, D.R. | Deposit date: | 2020-03-04 | Release date: | 2020-05-06 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Conformational plasticity of the ClpAP AAA+ protease couples protein unfolding and proteolysis. Nat.Struct.Mol.Biol., 27, 2020
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7AMF
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7AMB
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8EDK
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![BU of 8edk by Molmil](/molmil-images/mine/8edk) | Structure of C. elegans UNC-6 LamN and EGF domains | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Netrin unc-6, ... | Authors: | Priest, J.M, Ozkan, E. | Deposit date: | 2022-09-04 | Release date: | 2023-01-11 | Last modified: | 2024-08-14 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural insights into the formation of repulsive netrin guidance complexes. Sci Adv, 10, 2024
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5NW9
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5NVU
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![BU of 5nvu by Molmil](/molmil-images/mine/5nvu) | Full length human cytoplasmic dynein-1 in the phi-particle conformation | Descriptor: | Dynein intermediate chain, Dynein light intermediate chain, Dynein motor domain, ... | Authors: | Zhang, K, Foster, H.E, Carter, A.P. | Deposit date: | 2017-05-04 | Release date: | 2017-08-09 | Last modified: | 2017-09-06 | Method: | ELECTRON MICROSCOPY (15 Å) | Cite: | Cryo-EM Reveals How Human Cytoplasmic Dynein Is Auto-inhibited and Activated. Cell, 169, 2017
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4X88
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![BU of 4x88 by Molmil](/molmil-images/mine/4x88) | E178D Selectivity filter mutant of NavMS voltage-gated pore | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-02-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (3.5 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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6OHE
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6OK1
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![BU of 6ok1 by Molmil](/molmil-images/mine/6ok1) | Ltp2-ChsH2(DUF35) aldolase | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CHLORIDE ION, ChsH2(DUF35), ... | Authors: | Kimber, M.S, Mallette, E, Aggett, R, Seah, S.Y.K. | Deposit date: | 2019-04-12 | Release date: | 2019-06-26 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The steroid side-chain-cleaving aldolase Ltp2-ChsH2DUF35is a thiolase superfamily member with a radically repurposed active site. J.Biol.Chem., 294, 2019
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6OPT
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![BU of 6opt by Molmil](/molmil-images/mine/6opt) | HIV-1 Protease NL4-3 V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3, SULFATE ION | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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6OPX
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![BU of 6opx by Molmil](/molmil-images/mine/6opx) | HIV-1 Protease NL4-3 I13V, G16E, V32I, L33F, K45I, M46I, L76V, V82F, I84V Mutant in complex with darunavir | Descriptor: | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, Protease NL4-3 | Authors: | Lockbaum, G.J, Henes, M, Kosovrasti, K, Leidner, F, Nachum, G.S, Nalivaika, E.A, Bolon, D.N.A, KurtYilmaz, N, Schiffer, C.A. | Deposit date: | 2019-04-25 | Release date: | 2019-09-04 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.03 Å) | Cite: | Picomolar to Micromolar: Elucidating the Role of Distal Mutations in HIV-1 Protease in Conferring Drug Resistance. Acs Chem.Biol., 14, 2019
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5LOO
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8SDW
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![BU of 8sdw by Molmil](/molmil-images/mine/8sdw) | Crystal structure of the non-myristoylated mutant [L8K]Arf1 in complex with a GDP analogue | Descriptor: | ADP-ribosylation factor 1, GUANOSINE-3'-MONOPHOSPHATE-5'-DIPHOSPHATE, MAGNESIUM ION | Authors: | Rosenberg Jr, E.M, Randazzo, P.A, Esser, L, Xia, D. | Deposit date: | 2023-04-07 | Release date: | 2023-06-28 | Last modified: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Point mutations in Arf1 reveal cooperative effects of the N-terminal extension and myristate for GTPase-activating protein catalytic activity. Plos One, 19, 2024
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6ORR
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![BU of 6orr by Molmil](/molmil-images/mine/6orr) | Co-crystal structure of human NicotinamideN-Methyltransferase (NNMT) in complex with High-Affinity Alkynyl Bisubstrate Inhibitor NS1 | Descriptor: | 9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine, GLYCEROL, NNMT protein | Authors: | May, E.J, Policarpo, R.L, Gaudet, R. | Deposit date: | 2019-04-30 | Release date: | 2019-10-23 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | High-Affinity Alkynyl Bisubstrate Inhibitors of NicotinamideN-Methyltransferase (NNMT). J.Med.Chem., 62, 2019
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7R56
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6T5I
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![BU of 6t5i by Molmil](/molmil-images/mine/6t5i) | The Transcriptional Regulator PrfA from Listeria Monocytogenes in complex with inhibitor of WNT production (IWP)-2 | Descriptor: | DIMETHYL SULFOXIDE, Listeriolysin positive regulatory factor A, SODIUM ION, ... | Authors: | Oelker, M, Grundstrom, C, Blumenthal, A, Sauer-Eriksson, A.E. | Deposit date: | 2019-10-16 | Release date: | 2021-10-27 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inhibition of the master regulator of Listeria monocytogenes virulence enables bacterial clearance from spacious replication vacuoles in infected macrophages. Plos Pathog., 18, 2022
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5ZM0
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![BU of 5zm0 by Molmil](/molmil-images/mine/5zm0) | X-ray structure of animal-like Cryptochrome from Chlamydomonas reinhardtii | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, Cryptochrome photoreceptor, ... | Authors: | Franz, S, Ignatz, E, Wenzel, S, Zielosko, H, Gusti Ngurah Putu, E.P, Maestre-Reyna, M, Tsai, M.-D, Yamamoto, J, Mittag, M, Essen, L.-O. | Deposit date: | 2018-03-31 | Release date: | 2018-07-25 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of the bifunctional cryptochrome aCRY from Chlamydomonas reinhardtii Nucleic Acids Res., 46, 2018
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6ZH5
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![BU of 6zh5 by Molmil](/molmil-images/mine/6zh5) | Folding of an iron binding peptide in response to sedimentation is resolved using ferritin as a nano-reactor | Descriptor: | FE (III) ION, Ferritin | Authors: | Davidov, G, Abelya, G, Zalk, R, Izbicki, B, Shaibi, S, Spektor, L, Meyron Holtz, E.G, Zarivach, R, Frank, G.A. | Deposit date: | 2020-06-21 | Release date: | 2021-04-28 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (2.7 Å) | Cite: | Folding of an Intrinsically Disordered Iron-Binding Peptide in Response to Sedimentation Revealed by Cryo-EM. J.Am.Chem.Soc., 142, 2020
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5LP7
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4X89
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![BU of 4x89 by Molmil](/molmil-images/mine/4x89) | NavMs voltage-gated sodium channal pore and C-terminal domain soaked with Silver nitrate | Descriptor: | HEGA-10, Ion transport protein, PENTAETHYLENE GLYCOL, ... | Authors: | Naylor, C.E, Bagneris, C, Wallace, B.A. | Deposit date: | 2014-12-10 | Release date: | 2016-03-09 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | Molecular basis of ion permeability in a voltage-gated sodium channel. Embo J., 35, 2016
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8PXH
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![BU of 8pxh by Molmil](/molmil-images/mine/8pxh) | Structure of TauA from E. coli, solved at wavelength 2.375 A | Descriptor: | 2-AMINOETHANESULFONIC ACID, IODIDE ION, Taurine ABC transporter substrate-binding protein | Authors: | El Omari, K, Duman, R, Mykhaylyk, V, Orr, C, Qu, F, Beis, K, Wagner, A. | Deposit date: | 2023-07-23 | Release date: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Experimental phasing opportunities for macromolecular crystallography at very long wavelengths. Commun Chem, 6, 2023
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6Q4E
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![BU of 6q4e by Molmil](/molmil-images/mine/6q4e) | CDK2 in complex with FragLite33 | Descriptor: | 6-iodanyl-7~{H}-purin-2-amine, Cyclin-dependent kinase 2, DIMETHYL SULFOXIDE | Authors: | Wood, D.J, Martin, M.P, Noble, M.E.M. | Deposit date: | 2018-12-05 | Release date: | 2019-03-20 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | FragLites-Minimal, Halogenated Fragments Displaying Pharmacophore Doublets. An Efficient Approach to Druggability Assessment and Hit Generation. J.Med.Chem., 62, 2019
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