4XYX
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![BU of 4xyx by Molmil](/molmil-images/mine/4xyx) | NanB plus Optactamide | Descriptor: | Optactamide, PHOSPHATE ION, Sialidase B | Authors: | Rogers, G.W, Brear, P, Yang, L, Taylor, G.L, Westwood, N.J. | Deposit date: | 2015-02-03 | Release date: | 2016-02-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | The Hunt for Serendipitous Allosteric Sites: Discovery of a novel allosteric inhibitor of the bacterial sialidase NanB To Be Published
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4XZA
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![BU of 4xza by Molmil](/molmil-images/mine/4xza) | The crystal structure of Erve 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 (1.8 Å) | Cite: | Structural and Functional Diversity of Nairovirus-Encoded Nucleoproteins. J.Virol., 89, 2015
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6NN8
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![BU of 6nn8 by Molmil](/molmil-images/mine/6nn8) | The structure of human liver pyruvate kinase, hLPYK-S531E | Descriptor: | 1,2-ETHANEDIOL, Pyruvate kinase PKLR | Authors: | McFarlane, J.S, Ronnebaum, T.A, Meneely, K.M, Fenton, A.W, Lamb, A.L. | Deposit date: | 2019-01-14 | Release date: | 2019-06-19 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.416 Å) | Cite: | Changes in the allosteric site of human liver pyruvate kinase upon activator binding include the breakage of an intersubunit cation-pi bond. Acta Crystallogr.,Sect.F, 75, 2019
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4XZY
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![BU of 4xzy by Molmil](/molmil-images/mine/4xzy) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | Descriptor: | GLYCEROL, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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4IBG
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![BU of 4ibg by Molmil](/molmil-images/mine/4ibg) | Ebola virus VP35 bound to small molecule | Descriptor: | GLYCEROL, PHOSPHATE ION, Polymerase cofactor VP35, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.413 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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5LHA
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![BU of 5lha by Molmil](/molmil-images/mine/5lha) | |
4Y0H
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![BU of 4y0h by Molmil](/molmil-images/mine/4y0h) | Gamma-aminobutyric acid aminotransferase inactivated by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) | Descriptor: | 4-aminobutyrate aminotransferase, mitochondrial, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Rui, W, Ruslan, S, Hyunbeom, L, Emma, H.D, Jose, I.J, Neil, K, Richard, B.S, Dali, L. | Deposit date: | 2015-02-06 | Release date: | 2015-03-11 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (1.63 Å) | Cite: | Mechanism of inactivation of gamma-aminobutyric acid aminotransferase by (1S,3S)-3-amino-4-difluoromethylenyl-1-cyclopentanoic acid (CPP-115) J. Am. Chem. Soc., 2015
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4IBB
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![BU of 4ibb by Molmil](/molmil-images/mine/4ibb) | Ebola virus VP35 bound to small molecule | Descriptor: | Polymerase cofactor VP35, {4-[(5R)-3-hydroxy-2-oxo-4-(thiophen-2-ylcarbonyl)-5-(2,4,5-trimethylphenyl)-2,5-dihydro-1H-pyrrol-1-yl]phenyl}acetic acid | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2012-12-08 | Release date: | 2014-02-26 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.752 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4XSO
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![BU of 4xso by Molmil](/molmil-images/mine/4xso) | Crystal structure of apo-form Alr3699/HepE from Anabaena sp. strain PCC 7120 | Descriptor: | Alr3699 protein, GLYCEROL | Authors: | Wang, X.P, Dai, Y.N, Jiang, Y.L, Cheng, W, Chen, Y.X, Zhou, C.Z. | Deposit date: | 2015-01-22 | Release date: | 2016-01-13 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Structural and enzymatic analyses of a glucosyltransferase Alr3699/HepE involved in Anabaena heterocyst envelop polysaccharide biosynthesis Glycobiology, 26, 2016
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7WWP
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![BU of 7wwp by Molmil](/molmil-images/mine/7wwp) | Crystal structure of human Npl4 | Descriptor: | Nuclear protein localization protein 4 homolog, ZINC ION | Authors: | Nguyen, T.Q, Le, L.T.M, Kim, D.H, Ko, K.S, Lee, H.T, Nguyen, Y.T.K, Kim, H.S, Han, B.W, Kang, W, Yang, J.K. | Deposit date: | 2022-02-14 | Release date: | 2022-09-21 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Structural basis for the interaction between human Npl4 and Npl4-binding motif of human Ufd1. Structure, 30, 2022
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6NB1
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![BU of 6nb1 by Molmil](/molmil-images/mine/6nb1) | Crystal structure of Escherichia coli ClpP protease complexed with small molecule activator, ACP1-06 | Descriptor: | ATP-dependent Clp protease proteolytic subunit, GLYCEROL, N-{2-[(2-chlorophenyl)sulfanyl]ethyl}-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}propanamide | Authors: | Mabanglo, M.F, Houry, W.A, Eger, B.T, Bryson, S, Pai, E.F. | Deposit date: | 2018-12-06 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | ClpP protease activation results from the reorganization of the electrostatic interaction networks at the entrance pores. Commun Biol, 2, 2019
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2A0S
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4DNJ
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![BU of 4dnj by Molmil](/molmil-images/mine/4dnj) | The crystal structures of 4-methoxybenzoate bound CYP199A2 | Descriptor: | 4-METHOXYBENZOIC ACID, CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Zhou, W, Bell, S.G, Yang, W, Tan, A.B.H, Zhou, R, Johnson, E.O.D, Zhang, A, Rao, Z, Wong, L.-L. | Deposit date: | 2012-02-08 | Release date: | 2012-08-15 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The crystal structures of 4-methoxybenzoate bound CYP199A2 and CYP199A4: structural changes on substrate binding and the identification of an anion binding site Dalton Trans, 41, 2012
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4XVL
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![BU of 4xvl by Molmil](/molmil-images/mine/4xvl) | Binary complex of human polymerase nu and DNA with the finger domain open | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, DNA (5'-D(*GP*AP*TP*CP*TP*GP*AP*CP*GP*CP*TP*AP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*TP*AP*GP*CP*GP*TP*CP*A)-3'), ... | Authors: | Lee, Y.-S, Yang, W. | Deposit date: | 2015-01-27 | Release date: | 2015-03-11 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.301 Å) | Cite: | How a homolog of high-fidelity replicases conducts mutagenic DNA synthesis. Nat.Struct.Mol.Biol., 22, 2015
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4XX1
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![BU of 4xx1 by Molmil](/molmil-images/mine/4xx1) | Low resolution structure of LCAT in complex with Fab1 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab1 heavy chain, Fab1 light chain, ... | Authors: | Piper, D.E, Walker, N.P.C, Romanow, W.G, Thibault, S.T. | Deposit date: | 2015-01-29 | Release date: | 2015-07-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (3.6 Å) | Cite: | The high-resolution crystal structure of human LCAT. J.Lipid Res., 56, 2015
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4DX9
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![BU of 4dx9 by Molmil](/molmil-images/mine/4dx9) | ICAP1 in complex with integrin beta 1 cytoplasmic tail | Descriptor: | Integrin beta-1, Integrin beta-1-binding protein 1 | Authors: | Liu, W, Draheim, K, Zhang, R, Calderwood, D.A, Boggon, T.J. | Deposit date: | 2012-02-27 | Release date: | 2013-01-09 | Last modified: | 2020-09-02 | Method: | X-RAY DIFFRACTION (2.99 Å) | Cite: | Mechanism for KRIT1 Release of ICAP1-Mediated Suppression of Integrin Activation. Mol.Cell, 49, 2013
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4IBD
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![BU of 4ibd by Molmil](/molmil-images/mine/4ibd) | Ebola virus VP35 bound to small molecule | Descriptor: | 5-[(2R)-3-benzoyl-2-(4-bromothiophen-2-yl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-2-methylbenzoic acid, GLYCEROL, MAGNESIUM ION, ... | Authors: | Brown, C.S, Leung, D.W, Xu, W, Borek, D.M, Otwinowski, Z, Ramanan, P, Stubbs, A.J, Peterson, D.S, Binning, J.M, Amarasinghe, G.K. | Deposit date: | 2012-12-08 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | In Silico Derived Small Molecules Bind the Filovirus VP35 Protein and Inhibit Its Polymerase Cofactor Activity. J.Mol.Biol., 426, 2014
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4Y01
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![BU of 4y01 by Molmil](/molmil-images/mine/4y01) | Crystal structure of dipeptidyl peptidase 11 (DPP11) from Porphyromonas gingivalis | Descriptor: | GLYCEROL, Peptidase S46 | Authors: | Sakamoto, Y, Suzuki, Y, Iizuka, I, Tateoka, C, Roppongi, S, Fujimoto, M, Nonaka, T, Ogasawara, W, Tanaka, N. | Deposit date: | 2015-02-05 | Release date: | 2015-07-15 | Last modified: | 2020-02-05 | Method: | X-RAY DIFFRACTION (2.46 Å) | Cite: | Structural and mutational analyses of dipeptidyl peptidase 11 from Porphyromonas gingivalis reveal the molecular basis for strict substrate specificity. Sci Rep, 5, 2015
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1I4M
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![BU of 1i4m by Molmil](/molmil-images/mine/1i4m) | Crystal structure of the human prion protein reveals a mechanism for oligomerization | Descriptor: | CADMIUM ION, CHLORIDE ION, MAJOR PRION PROTEIN | Authors: | Knaus, K.J, Morillas, M, Swietnicki, W, Malone, M, Surewicz, W.K, Yee, V.C. | Deposit date: | 2001-02-22 | Release date: | 2002-02-27 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal structure of the human prion protein reveals a mechanism for oligomerization. Nat.Struct.Biol., 8, 2001
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6NFT
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![BU of 6nft by Molmil](/molmil-images/mine/6nft) | Structure of USP5 zinc-finger ubiquitin binding domain co-crystallized with (4-oxoquinazolin-3(4H)-yl)acetic acid | Descriptor: | (4-oxoquinazolin-3(4H)-yl)acetic acid, 1,2-ETHANEDIOL, UNKNOWN ATOM OR ION, ... | Authors: | Harding, R.J, Mann, M.K, Tempel, W, Bountra, C, Arrowmsmith, C.M, Edwards, A.M, Schapira, M, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-20 | Release date: | 2019-01-02 | Last modified: | 2021-06-09 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Discovery of Small Molecule Antagonists of the USP5 Zinc Finger Ubiquitin-Binding Domain. J.Med.Chem., 62, 2019
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6NFX
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![BU of 6nfx by Molmil](/molmil-images/mine/6nfx) | MBTD1 MBT repeats | Descriptor: | GLYCEROL, MBT domain-containing protein 1,Enhancer of polycomb homolog 1, SODIUM ION, ... | Authors: | Zhang, H, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-21 | Release date: | 2019-01-30 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural Basis for EPC1-Mediated Recruitment of MBTD1 into the NuA4/TIP60 Acetyltransferase Complex. Cell Rep, 30, 2020
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5LH9
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![BU of 5lh9 by Molmil](/molmil-images/mine/5lh9) | |
5LNW
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![BU of 5lnw by Molmil](/molmil-images/mine/5lnw) | Crystal structure of Arabidopsis thaliana Pdx1-I320-G3P complex | Descriptor: | 5-O-phosphono-beta-D-ribofuranose, GLYCEROL, Pyridoxal 5'-phosphate synthase subunit PDX1.3, ... | Authors: | Rodrigues, M.J, Windeisen, V, Zhang, Y, Guedez, G, Weber, S, Strohmeier, M, Hanes, J.W, Royant, A, Evans, G, Sinning, I, Ealick, S.E, Begley, T.P, Tews, I. | Deposit date: | 2016-08-06 | Release date: | 2017-01-18 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Lysine relay mechanism coordinates intermediate transfer in vitamin B6 biosynthesis. Nat. Chem. Biol., 13, 2017
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3MS9
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![BU of 3ms9 by Molmil](/molmil-images/mine/3ms9) | ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket | Descriptor: | 4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE, CHLORIDE ION, Tyrosine-protein kinase ABL1, ... | Authors: | Cowan-Jacob, S.W, Rummel, G, Fendrich, G. | Deposit date: | 2010-04-29 | Release date: | 2010-05-26 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Binding or bending: distinction of allosteric Abl kinase agonists from antagonists by an NMR-based conformational assay. J.Am.Chem.Soc., 132, 2010
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4XRC
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![BU of 4xrc by Molmil](/molmil-images/mine/4xrc) | Antibody hemagglutinin Complexes | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, H5.3 Fab heavy chain, H5.3 Fab light chain, ... | Authors: | Spiller, B.W, Winarski, K.L. | Deposit date: | 2015-01-20 | Release date: | 2015-07-15 | Last modified: | 2022-03-30 | Method: | X-RAY DIFFRACTION (2.74 Å) | Cite: | Vaccine-elicited antibody that neutralizes H5N1 influenza and variants binds the receptor site and polymorphic sites. Proc.Natl.Acad.Sci.USA, 112, 2015
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