1JOR
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![BU of 1jor by Molmil](/molmil-images/mine/1jor) | Ensemble structures for unligated Staphylococcal nuclease-H124L | Descriptor: | staphylococcal nuclease | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | Deposit date: | 2001-07-30 | Release date: | 2001-08-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate. J.Biomol.NMR, 10, 1997
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8I40
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![BU of 8i40 by Molmil](/molmil-images/mine/8i40) | Crystal structure of ASCT from Trypanosoma brucei in complex with CoA. | Descriptor: | ACETATE ION, CALCIUM ION, COENZYME A, ... | Authors: | Mochizuki, K, Inaoka, D.K, Fukuda, K, Kurasawa, H, Iyoda, K, Nakai, U, Harada, S, Balogun, E.O, Mazet, M, Millerioux, Y, Bringaud, F, Boshart, M, Hirayama, K, Kita, K, Shiba, T. | Deposit date: | 2023-01-18 | Release date: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | Crystal structure of ligand complexes of ASCT from Trypanosoma brucei and molecular mechanism in comparison with mammalian SCOT. To Be Published
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3DR4
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![BU of 3dr4 by Molmil](/molmil-images/mine/3dr4) | GDP-perosamine synthase K186A mutant from Caulobacter crescentus with bound sugar ligand | Descriptor: | 1,2-ETHANEDIOL, Putative perosamine synthetase, [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6R)-3,4-dihydroxy-5-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate | Authors: | Holden, H.M, Cook, P.D, Carney, A.E. | Deposit date: | 2008-07-10 | Release date: | 2008-10-14 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Accommodation of GDP-linked sugars in the active site of GDP-perosamine synthase Biochemistry, 47, 2008
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3T2B
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![BU of 3t2b by Molmil](/molmil-images/mine/3t2b) | Fructose-1,6-bisphosphate aldolase/phosphatase from Thermoproteus neutrophilus, ligand free | Descriptor: | Fructose-1,6-bisphosphate aldolase/phosphatase, MAGNESIUM ION | Authors: | Du, J, Say, R, Lue, W, Fuchs, G, Einsle, O. | Deposit date: | 2011-07-22 | Release date: | 2011-10-26 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.52 Å) | Cite: | Active-site remodelling in the bifunctional fructose-1,6-bisphosphate aldolase/phosphatase. Nature, 478, 2011
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5FG0
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![BU of 5fg0 by Molmil](/molmil-images/mine/5fg0) | |
4DQ7
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![BU of 4dq7 by Molmil](/molmil-images/mine/4dq7) | |
1P1Z
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![BU of 1p1z by Molmil](/molmil-images/mine/1p1z) | X-RAY CRYSTAL STRUCTURE OF THE LECTIN-LIKE NATURAL KILLER CELL RECEPTOR LY-49C BOUND TO ITS MHC CLASS I LIGAND H-2Kb | Descriptor: | Beta-2-microglobulin, H-2 class I histocompatibility antigen, K-B alpha chain, ... | Authors: | Dimasi, N, Natarajan, K, Rangjin, G, Dam, J, Margulies, D.H, Mariuzza, R.A. | Deposit date: | 2003-04-14 | Release date: | 2003-11-11 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (3.26 Å) | Cite: | Variable MHC class I engagement by Ly49 natural killer cell receptors demonstrated by the crystal structure of Ly49C bound to H-2K(b). Nat.Immunol., 4, 2003
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8VW5
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![BU of 8vw5 by Molmil](/molmil-images/mine/8vw5) | Crystal structure of Cbl-b TKB bound to compound 2 | Descriptor: | CALCIUM ION, E3 ubiquitin-protein ligase CBL-B, MAGNESIUM ION, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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6CBZ
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3EJS
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![BU of 3ejs by Molmil](/molmil-images/mine/3ejs) | Golgi alpha-Mannosidase II in complex with 5-substituted swainsonine analog: (5S)-5-[2'-(4-tert-butylphenyl)ethyl]-swainsonine | Descriptor: | (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Kuntz, D.A, Shea, K, Rose, D.R. | Deposit date: | 2008-09-18 | Release date: | 2009-10-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Structural Investigation of the Binding of 5-Substituted Swainsonine Analogues to Golgi alpha-Mannosidase II. Chembiochem, 11, 2010
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8VW4
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![BU of 8vw4 by Molmil](/molmil-images/mine/8vw4) | Crystal structure of Cbl-b TKB bound to compound 26 | Descriptor: | (7-methoxy-2-{2-[(1S,3S,4S)-3-(3-methoxy-2-methyl-5-nitrophenyl)-1-methyl-5-oxo-1,5-dihydroimidazo[1,5-a]pyridin-2(3H)-yl]-2-oxoethoxy}quinolin-8-yl)acetic acid, DI(HYDROXYETHYL)ETHER, E3 ubiquitin-protein ligase CBL-B, ... | Authors: | Yu, C, Murray, J, Hsu, P.L. | Deposit date: | 2024-01-31 | Release date: | 2024-07-03 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Optimization of a Novel DEL Hit That Binds in the Cbl-b SH2 Domain and Blocks Substrate Binding. Acs Med.Chem.Lett., 15, 2024
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8J1F
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![BU of 8j1f by Molmil](/molmil-images/mine/8j1f) | GSK101 bound state of mTRPV4 | Descriptor: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4 | Authors: | Zhen, W.X, Yang, F. | Deposit date: | 2023-04-12 | Release date: | 2023-08-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.62 Å) | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel. Cell Discov, 9, 2023
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8J1H
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![BU of 8j1h by Molmil](/molmil-images/mine/8j1h) | Agonist1 and Ruthenium Red bound state of mTRPV4 | Descriptor: | 8-fluoranyl-3-[4-(4-fluoranylphenoxy)phenyl]-2-(4-methylpiperazin-1-yl)quinazolin-4-one, Transient receptor potential cation channel subfamily V member 4 | Authors: | Zhen, W.X, Yang, F. | Deposit date: | 2023-04-12 | Release date: | 2023-08-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.88 Å) | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel. Cell Discov, 9, 2023
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8J1D
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![BU of 8j1d by Molmil](/molmil-images/mine/8j1d) | Cryo-EM structure of apo state mTRPV4 | Descriptor: | Transient receptor potential cation channel subfamily V member 4 | Authors: | Zhen, W.X, Yang, F. | Deposit date: | 2023-04-12 | Release date: | 2023-08-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.59 Å) | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel. Cell Discov, 9, 2023
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8J1B
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![BU of 8j1b by Molmil](/molmil-images/mine/8j1b) | GSK101 and Ruthenium Red bound state of mTRPV4 | Descriptor: | N-[(2S)-1-{4-[N-(2,4-dichlorobenzene-1-sulfonyl)-L-seryl]piperazin-1-yl}-4-methyl-1-oxopentan-2-yl]-1-benzothiophene-2-carboxamide, Transient receptor potential cation channel subfamily V member 4, ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) | Authors: | Zhen, W.X, Yang, F. | Deposit date: | 2023-04-12 | Release date: | 2023-08-09 | Last modified: | 2024-05-29 | Method: | ELECTRON MICROSCOPY (3.72 Å) | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel. Cell Discov, 9, 2023
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2JEQ
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![BU of 2jeq by Molmil](/molmil-images/mine/2jeq) | Family 5 xyloglucanase from Paenibacillus pabuli in complex with ligand | Descriptor: | XYLOGLUCANASE, beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[beta-D-galactopyranose-(1-2)-alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
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8JKM
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![BU of 8jkm by Molmil](/molmil-images/mine/8jkm) | RN-1747 bound state of mTRPV4 | Descriptor: | Transient receptor potential cation channel subfamily V member 4 | Authors: | Zhen, W.X, Yang, F. | Deposit date: | 2023-06-01 | Release date: | 2023-12-13 | Method: | ELECTRON MICROSCOPY (3.98 Å) | Cite: | Structural basis of ligand activation and inhibition in a mammalian TRPV4 ion channel. Cell Discov, 9, 2023
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7W7C
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![BU of 7w7c by Molmil](/molmil-images/mine/7w7c) | Heme exporter in the unliganded form | Descriptor: | Putative ABC transport system integral membrane protein, Putative ABC transport system, ATP-binding protein, ... | Authors: | Rahman, M.M, Hisano, T, Nakamura, H, Tosha, T, Shirouzu, M, Shiro, Y. | Deposit date: | 2021-12-04 | Release date: | 2022-06-22 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structural basis for heme detoxification by an ATP-binding cassette-type efflux pump in gram-positive pathogenic bacteria. Proc.Natl.Acad.Sci.USA, 119, 2022
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1XQ3
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![BU of 1xq3 by Molmil](/molmil-images/mine/1xq3) | Crystal structure of the human androgen receptor ligand binding domain bound with R1881 | Descriptor: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE, androgen receptor | Authors: | He, B, Gampe Jr, R.T, Kole, A.J, Hnat, A.T, Stanley, T.B, An, G, Stewart, E.L, Kalman, R.I, Minges, J.T, Wilson, E.M. | Deposit date: | 2004-10-11 | Release date: | 2004-11-16 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structural basis for androgen receptor interdomain and coactivator interactions suggests a transition in nuclear receptor activation function dominance Mol.Cell, 16, 2004
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3M2X
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![BU of 3m2x by Molmil](/molmil-images/mine/3m2x) | |
1Q1M
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![BU of 1q1m by Molmil](/molmil-images/mine/1q1m) | A Highly Efficient Approach to a Selective and Cell Active PTP1B inhibitors | Descriptor: | 5-{2-FLUORO-5-[3-(3-HYDROXY-2-METHOXYCARBONYL-PHENOXY)-PROPENYL]-PHENYL}-ISOXAZOLE-3-CARBOXYLIC ACID, Protein-tyrosine phosphatase, non-receptor type 1 | Authors: | Liu, G, Xin, Z, Pei, Z, Hajduk, P.J, Abad-Zapatero, C, Hutchins, C.W, Zhao, H, Lubben, T.H, Ballaron, S.J, Haasch, D.L, Kaszubska, W, Rondinone, C.M, Trevillyan, J.M, Jirousek, M.R. | Deposit date: | 2003-07-22 | Release date: | 2003-09-16 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Fragment screening and assembly: a highly efficient approach to a selective and cell active protein tyrosine phosphatase 1B inhibitor. J.Med.Chem., 46, 2003
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2PP3
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![BU of 2pp3 by Molmil](/molmil-images/mine/2pp3) | Crystal structure of L-talarate/galactarate dehydratase mutant K197A liganded with Mg and L-glucarate | Descriptor: | L-GLUCARIC ACID, L-talarate/galactarate dehydratase, MAGNESIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Yew, W.S, Gerlt, J.A, Almo, S.C. | Deposit date: | 2007-04-27 | Release date: | 2007-08-07 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Evolution of enzymatic activities in the enolase superfamily: L-talarate/galactarate dehydratase from Salmonella typhimurium LT2. Biochemistry, 46, 2007
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1JOO
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![BU of 1joo by Molmil](/molmil-images/mine/1joo) | Averaged structure for unligated Staphylococcal nuclease-H124L | Descriptor: | staphylococcal nuclease | Authors: | Wang, J, Truckses, D.M, Abildgaard, F, Dzakula, Z, Zolnai, Z, Markley, J.L. | Deposit date: | 2001-07-30 | Release date: | 2001-08-22 | Last modified: | 2024-05-22 | Method: | SOLUTION NMR | Cite: | Solution structures of staphylococcal nuclease from multidimensional, multinuclear NMR: nuclease-H124L and its ternary complex with Ca2+ and thymidine-3',5'-bisphosphate. J.Biomol.NMR, 10, 1997
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2HXM
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![BU of 2hxm by Molmil](/molmil-images/mine/2hxm) | Complex of UNG2 and a small Molecule synthetic Inhibitor | Descriptor: | 4-[(1E,7E)-8-(2,6-DIOXO-1,2,3,6-TETRAHYDROPYRIMIDIN-4-YL)-3,6-DIOXA-2,7-DIAZAOCTA-1,7-DIEN-1-YL]BENZOIC ACID, Uracil-DNA glycosylase | Authors: | Bianchet, M.A, Krosky, D.J, Ghung, S, Seiple, L, Amzel, L.M, Stivers, J.T. | Deposit date: | 2006-08-03 | Release date: | 2006-12-05 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Mimicking damaged DNA with a small molecule inhibitor of human UNG2. Nucleic Acids Res., 34, 2006
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5B46
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![BU of 5b46 by Molmil](/molmil-images/mine/5b46) | 2-Oxoacid:Ferredoxin Oxidoreductase 2 from Sulfolobus tokodai - ligand free form | Descriptor: | 2-oxoacid--ferredoxin oxidoreductase alpha subunit, 2-oxoacid--ferredoxin oxidoreductase beta subunit, IRON/SULFUR CLUSTER, ... | Authors: | Yan, Z, Maruyama, A, Arakawa, T, Fushinobu, S, Wakagi, T. | Deposit date: | 2016-04-01 | Release date: | 2016-09-28 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii Sci Rep, 6, 2016
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