4CZO
 
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4H5D
 | | Crystal structure of human FPPS in ternary complex with YS0470 and inorganic pyrophosphate | | Descriptor: | Farnesyl pyrophosphate synthase, MAGNESIUM ION, PYROPHOSPHATE 2-, ... | | Authors: | Park, J, Lin, Y.-S, Tsantrizos, Y.S, Berghuis, A.M. | | Deposit date: | 2012-09-18 | | Release date: | 2012-12-26 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Ternary complex structures of human farnesyl pyrophosphate synthase bound with a novel inhibitor and secondary ligands provide insights into the molecular details of the enzyme's active site closure.
Bmc Struct.Biol., 12, 2012
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4CZP
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4D2W
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4EPI
 | | The crystal structure of pesticin-T4 lysozyme hybrid stabilized by engineered disulfide bonds | | Descriptor: | Pesticin, Lysozyme Chimera, SODIUM ION, ... | | Authors: | Seddiki, N, Fairman, J.W, Noinaj, N, Lukacik, P, Barnard, T, Buchanan, S.K. | | Deposit date: | 2012-04-17 | | Release date: | 2012-06-20 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Structural engineering of a phage lysin that targets Gram-negative pathogens.
Proc.Natl.Acad.Sci.USA, 109, 2012
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4D2V
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-{[2-methoxy-4-(1H-pyrazol-4-yl)benzoyl]amino}-2,3,4,5-tetrahydro-1H-3-benzazepinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4IJO
 | | Unraveling hidden allosteric regulatory sites in structurally homologues metalloproteases | | Descriptor: | CALCIUM ION, Macrophage metalloelastase, ZINC ION | | Authors: | Udi, Y, Fragai, M, Grossman, M, Mitternacht, S, Arad-Yellin, R, Calderone, V, Melikian, M, Toccafondi, M, Berezovsky, I.N, Luchinat, C, Sagi, I. | | Deposit date: | 2012-12-22 | | Release date: | 2013-05-01 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unraveling hidden regulatory sites in structurally homologous metalloproteases
J.Mol.Biol., 425, 2013
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1J9Q
 | | Crystal structure of nitrite soaked oxidized D98N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1J9S
 | | Crystal structure of nitrite soaked oxidized H255N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1C4R
 | | THE STRUCTURE OF THE LIGAND-BINDING DOMAIN OF NEUREXIN 1BETA: REGULATION OF LNS DOMAIN FUNCTION BY ALTERNATIVE SPLICING | | Descriptor: | NEUREXIN-I BETA | | Authors: | Rudenko, G, Nguyen, T, Chelliah, Y, Sudhof, T.C, Deisenhofer, J. | | Deposit date: | 1999-09-28 | | Release date: | 2000-10-04 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of the ligand-binding domain of neurexin Ibeta: regulation of LNS domain function by alternative splicing.
Cell(Cambridge,Mass.), 99, 1999
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4CZD
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4D2T
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 3-[2-(phenylcarbamoyl)-5-(1H-pyrazol-4-yl)phenoxy]propan-1-aminium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-13 | | Release date: | 2014-10-15 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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4D2P
 | | Structure of MELK in complex with inhibitors | | Descriptor: | 7-({4-[(3-hydroxy-5-methoxyphenyl)amino]benzoyl}amino)-1,2,3,4-tetrahydroisoquinolinium, MATERNAL EMBRYONIC LEUCINE ZIPPER KINASE | | Authors: | Johnson, C.N, Berdini, V, Beke, L, Bonnet, P, Brehmer, D, Coyle, J.E, Day, P.J, Frederickson, M, Freyne, E.J.E, Gilissen, R.A.H.J, Hamlett, C.C.F, Howard, S, Meerpoel, L, McMenamin, R, Patel, S, Rees, D.C, Sharff, A, Sommen, F, Wu, T, Linders, J.T.M. | | Deposit date: | 2014-05-12 | | Release date: | 2014-10-08 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Fragment-Based Discovery of Type I Inhibitors of Maternal Embryonic Leucine Zipper Kinase
Acs Med.Chem.Lett., 6, 2015
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159D
 | | SIDE BY SIDE BINDING OF TWO DISTAMYCIN A DRUGS IN THE MINOR GROOVE OF AN ALTERNATING B-DNA DUPLEX | | Descriptor: | DISTAMYCIN A, DNA (5'-D(*IP*CP*IP*CP*IP*CP*IP*C)-3'), MAGNESIUM ION | | Authors: | Chen, X, Ramakrishnan, B, Rao, S.T, Sundaralingam, M. | | Deposit date: | 1994-02-10 | | Release date: | 1995-02-07 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Binding of two distamycin A molecules in the minor groove of an alternating B-DNA duplex.
Nat.Struct.Biol., 1, 1994
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5D1H
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1J9T
 | | Crystal structure of nitrite soaked reduced H255N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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1J9R
 | | Crystal structure of nitrite soaked reduced D98N AFNIR | | Descriptor: | COPPER (II) ION, COPPER-CONTAINING NITRITE REDUCTASE, NITRITE ION | | Authors: | Boulanger, M.J, Murphy, M.E. | | Deposit date: | 2001-05-28 | | Release date: | 2001-06-06 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Alternate substrate binding modes to two mutant (D98N and H255N) forms of nitrite reductase from Alcaligenes faecalis S-6: structural model of a transient catalytic intermediate
Biochemistry, 40, 2001
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3FX4
 | | Porcine aldehyde reductase in ternary complex with inhibitor | | Descriptor: | Alcohol dehydrogenase [NADP+], NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ... | | Authors: | Carbone, V, El-Kabbani, O. | | Deposit date: | 2009-01-20 | | Release date: | 2009-12-22 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of aldehyde reductase in ternary complex with a 5-arylidene-2,4-thiazolidinedione aldose reductase inhibitor.
Eur.J.Med.Chem., 45, 2010
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5D1N
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2YJN
 | | Structure of the glycosyltransferase EryCIII from the erythromycin biosynthetic pathway, in complex with its activating partner, EryCII | | Descriptor: | DTDP-4-KETO-6-DEOXY-HEXOSE 3,4-ISOMERASE, GLYCOSYLTRANSFERASE | | Authors: | Moncrieffe, M.C, Fernandez, M.J, Spiteller, D, Matsumura, H, Gay, N.J, Luisi, B.F, Leadlay, P.F. | | Deposit date: | 2011-05-20 | | Release date: | 2011-11-09 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (3.091 Å) | | Cite: | Structure of the Glycosyltransferase Eryciii in Complex with its Activating P450 Homologue Erycii.
J.Mol.Biol., 415, 2012
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5XS8
 | | Crystal structure of solute-binding protein complexed with unsaturated chondroitin disaccharide with two sulfate groups at C-4 and C-6 positions of GalNAc | | Descriptor: | 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose, CALCIUM ION, Extracellular solute-binding protein family 1 | | Authors: | Oiki, S, Kamochi, R, Mikami, B, Murata, K, Hashimoto, W. | | Deposit date: | 2017-06-12 | | Release date: | 2018-01-17 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.952 Å) | | Cite: | Alternative substrate-bound conformation of bacterial solute-binding protein involved in the import of mammalian host glycosaminoglycans.
Sci Rep, 7, 2017
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4ELY
 | | CCDBVFI:GYRA14EC | | Descriptor: | CHLORIDE ION, CcdB, DNA gyrase subunit A, ... | | Authors: | De Jonge, N, Simic, R, Buts, L, Haesaerts, S, Roelants, K, Garcia-Pino, A, Sterckx, Y, De Greve, H, Lah, J, Loris, R. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.932 Å) | | Cite: | Alternative interactions define gyrase specificity in the CcdB family.
Mol.Microbiol., 84, 2012
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4EPA
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3A5C
 | | Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, V-type ATP synthase alpha chain, V-type ATP synthase beta chain, ... | | Authors: | Numoto, N, Hasegawa, Y, Takeda, K, Miki, K. | | Deposit date: | 2009-08-06 | | Release date: | 2009-10-13 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (4.51 Å) | | Cite: | Inter-subunit interaction and quaternary rearrangement defined by the central stalk of prokaryotic V1-ATPase
Embo Rep., 10, 2009
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4ELZ
 | | CCDBVFI:GYRA14VFI | | Descriptor: | CcdB, DNA gyrase subunit A, GLYCEROL | | Authors: | De Jonge, N, Simic, M, Buts, L, Haesaerts, S, Roelants, K, Garcia-Pino, A, Sterckx, Y, De Greve, H, Lah, J, Loris, R. | | Deposit date: | 2012-04-11 | | Release date: | 2012-05-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Alternative interactions define gyrase specificity in the CcdB family.
Mol.Microbiol., 84, 2012
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