4UMU
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![BU of 4umu by Molmil](/molmil-images/mine/4umu) | Structure of MELK in complex with inhibitors | Descriptor: | (2-ethoxy-4-{[3-(isoquinolin-7-yl)prop-2-yn-1-yl]oxy}phenyl)methanaminium, 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: | 2014-05-21 | Release date: | 2014-10-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Structure-Based Design of Type II Inhibitors Applied to Maternal Embryonic Leucine Zipper Kinase. Acs Med.Chem.Lett., 6, 2015
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1EF7
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![BU of 1ef7 by Molmil](/molmil-images/mine/1ef7) | CRYSTAL STRUCTURE OF HUMAN CATHEPSIN X | Descriptor: | CATHEPSIN X | Authors: | Guncar, G, Klemencic, I, Turk, B, Turk, V, Karaoglanovic-Carmona, A, Juliano, L, Turk, D. | Deposit date: | 2000-02-07 | Release date: | 2000-03-15 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Crystal structure of cathepsin X: a flip-flop of the ring of His23 allows carboxy-monopeptidase and carboxy-dipeptidase activity of the protease. Structure Fold.Des., 8, 2000
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4UTQ
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![BU of 4utq by Molmil](/molmil-images/mine/4utq) | A structural model of the active ribosome-bound membrane protein insertase YidC | Descriptor: | ATP SYNTHASE SUBUNIT C, MEMBRANE PROTEIN INSERTASE YIDC | Authors: | Wickles, S, Singharoy, A, Andreani, J, Seemayer, S, Bischoff, L, Berninghausen, O, Soeding, J, Schulten, K, vanderSluis, E.O, Beckmann, R. | Deposit date: | 2014-07-22 | Release date: | 2014-07-30 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8 Å) | Cite: | A Structural Model of the Active Ribosome-Bound Membrane Protein Insertase Yidc. Elife, 3, 2014
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6L3Y
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![BU of 6l3y by Molmil](/molmil-images/mine/6l3y) | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Clado-C | Descriptor: | (3R)-3-[[(3S)-3-ethylpiperidin-1-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one, LYSINE, Lysine--tRNA ligase, ... | Authors: | Babbar, P, Sharma, A, Mishra, S, Manickam, Y, Harlos, K. | Deposit date: | 2019-10-15 | Release date: | 2021-05-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of Lysyl-tRNA Synthetase from Plasmodium falciparum complexed with L-lysine and Cladosporin inhibitor, Cla-B Chembiochem, 2021
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6LAY
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4USN
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![BU of 4usn by Molmil](/molmil-images/mine/4usn) | The structure of the immature HIV-1 capsid in intact virus particles at sub-nm resolution | Descriptor: | P24 | Authors: | Schur, F.K.M, Hagen, W.J.H, Rumlova, M, Ruml, T, Mueller, B, Kraeusslich, H.-G, Briggs, J.A.G. | Deposit date: | 2014-07-11 | Release date: | 2014-11-05 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (8.8 Å) | Cite: | Structure of the Immature HIV-1 Capsid in Intact Virus Particles at 8.8 A Resolution. Nature, 517, 2015
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1E5G
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![BU of 1e5g by Molmil](/molmil-images/mine/1e5g) | Solution structure of central CP module pair of a pox virus complement inhibitor | Descriptor: | COMPLEMENT CONTROL PROTEIN C3 | Authors: | Henderson, C.E, Bromek, K, Mullin, N.P, Smith, B.O, Uhrin, D, Barlow, P.N. | Deposit date: | 2000-07-25 | Release date: | 2000-08-31 | Last modified: | 2013-07-03 | Method: | SOLUTION NMR | Cite: | Solution Structure and Dynamics of the Central Ccp Module Pair of a Poxvirus Complement Control Protein J.Mol.Biol., 307, 2001
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6KWE
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![BU of 6kwe by Molmil](/molmil-images/mine/6kwe) | |
4GD4
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![BU of 4gd4 by Molmil](/molmil-images/mine/4gd4) | Crystal Structure of JMJD2A Complexed with Inhibitor | Descriptor: | 2-(1H-pyrazol-3-yl)pyridine-4-carboxylic acid, CHLORIDE ION, Lysine-specific demethylase 4A, ... | Authors: | King, O.N.F, Krojer, T, Arrowsmith, C.H, Edwards, A, Bountra, C, McDonough, M.A, Schofield, C.J, Structural Genomics Consortium (SGC) | Deposit date: | 2012-07-31 | Release date: | 2012-08-15 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.33 Å) | Cite: | Crystal Structure of JMJD2A Complexed with Inhibitor TO BE PUBLISHED
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1ENX
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1E9V
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![BU of 1e9v by Molmil](/molmil-images/mine/1e9v) | XENON BOUND IN HYDROPHOBIC CHANNEL OF HYBRID CLUSTER PROTEIN FROM DESULFOVIBRIO VULGARIS | Descriptor: | 1,2-ETHANEDIOL, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETIC ACID, ... | Authors: | Cooper, S.J, Bailey, S, Rizkallah, P.J, Lindley, P.F. | Deposit date: | 2000-10-27 | Release date: | 2001-10-25 | Last modified: | 2020-12-23 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Ferricyanide Soaked Hybrid Cluster Protein at 1.2A and Xenon Mapping of the Hydrophobic Cavity at 1.8A To be Published
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4UXT
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![BU of 4uxt by Molmil](/molmil-images/mine/4uxt) | Conserved mechanisms of microtubule-stimulated ADP release, ATP binding, and force generation in transport kinesins | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, KINESIN HEAVY CHAIN ISOFORM 5A, ... | Authors: | Atherton, J, Farabella, I, Yu, I.M, Rosenfeld, S.S, Houdusse, A, Topf, M, Moores, C. | Deposit date: | 2014-08-27 | Release date: | 2014-09-24 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (7.4 Å) | Cite: | Conserved Mechanisms of Microtubule-Stimulated Adp Release, ATP Binding, and Force Generation in Transport Kinesins. Elife, 3, 2014
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3VH8
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![BU of 3vh8 by Molmil](/molmil-images/mine/3vh8) | KIR3DL1 in complex with HLA-B*5701 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ... | Authors: | Vivian, J.P, Rossjohn, J. | Deposit date: | 2011-08-24 | Release date: | 2011-10-26 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Killer cell immunoglobulin-like receptor 3DL1-mediated recognition of human leukocyte antigen B Nature, 479, 2011
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4PES
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1EPB
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1EPR
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![BU of 1epr by Molmil](/molmil-images/mine/1epr) | ENDOTHIA ASPARTIC PROTEINASE (ENDOTHIAPEPSIN) COMPLEXED WITH PD-135,040 | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide | Authors: | Badasso, M, Crawford, M, Cooper, J.B, Blundell, T.L. | Deposit date: | 1994-07-27 | Release date: | 1994-12-20 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | A structural comparison of 21 inhibitor complexes of the aspartic proteinase from Endothia parasitica. Protein Sci., 3, 1994
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1EDP
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6LOP
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![BU of 6lop by Molmil](/molmil-images/mine/6lop) | Crystal Structure of Class IB terpene synthase bound with geranylgeraniol | Descriptor: | (2~{E},6~{E},10~{E})-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-ol, Tetraprenyl-beta-curcumene synthase | Authors: | Fujihashi, M, Inagi, H, Miki, K. | Deposit date: | 2020-01-07 | Release date: | 2020-11-18 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Characterization of Class IB Terpene Synthase: The First Crystal Structure Bound with a Substrate Surrogate. Acs Chem.Biol., 15, 2020
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1EDU
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![BU of 1edu by Molmil](/molmil-images/mine/1edu) | CRYSTAL STRUCTURE OF THE ENTH DOMAIN OF RAT EPSIN 1 | Descriptor: | 1,2-ETHANEDIOL, EH domain binding protein EPSIN | Authors: | Hyman, J.H, Chen, H, Decamilli, P, Brunger, A.T. | Deposit date: | 2000-01-28 | Release date: | 2000-05-10 | Last modified: | 2018-01-31 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Epsin 1 undergoes nucleocytosolic shuttling and its eps15 interactor NH(2)-terminal homology (ENTH) domain, structurally similar to Armadillo and HEAT repeats, interacts with the transcription factor promyelocytic leukemia Zn(2)+ finger protein (PLZF). J.Cell Biol., 149, 2000
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1EQD
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![BU of 1eqd by Molmil](/molmil-images/mine/1eqd) | CRYSTAL STRUCTURE OF NITROPHORIN 4 COMPLEXED WITH CN | Descriptor: | 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX, CITRIC ACID, CYANIDE ION, ... | Authors: | Weichsel, A, Andersen, J.F, Roberts, S.A, Montfort, W.R. | Deposit date: | 2000-04-03 | Release date: | 2000-05-03 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Nitric oxide binding to nitrophorin 4 induces complete distal pocket burial. Nat.Struct.Biol., 7, 2000
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1EE6
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![BU of 1ee6 by Molmil](/molmil-images/mine/1ee6) | CRYSTAL STRUCTURE OF PECTATE LYASE FROM BACILLUS SP. STRAIN KSM-P15. | Descriptor: | CALCIUM ION, PECTATE LYASE | Authors: | Akita, M, Suzuki, A, Kobayashi, T, Ito, S, Yamane, T. | Deposit date: | 2000-01-31 | Release date: | 2001-01-31 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The first structure of pectate lyase belonging to polysaccharide lyase family 3. Acta Crystallogr.,Sect.D, 57, 2001
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1EQN
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![BU of 1eqn by Molmil](/molmil-images/mine/1eqn) | E.COLI PRIMASE CATALYTIC CORE | Descriptor: | DNA PRIMASE | Authors: | Podobnik, M, McInerney, P, O'Donnell, M, Kuriyan, J. | Deposit date: | 2000-04-05 | Release date: | 2000-06-30 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | A TOPRIM domain in the crystal structure of the catalytic core of Escherichia coli primase confirms a structural link to DNA topoisomerases. J.Mol.Biol., 300, 2000
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6LQ7
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![BU of 6lq7 by Molmil](/molmil-images/mine/6lq7) | |
1ERM
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![BU of 1erm by Molmil](/molmil-images/mine/1erm) | X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHANE BORONIC ACID | Descriptor: | 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID, TEM-1 BETA-LACTAMASE | Authors: | Ness, S, Martin, R, Kindler, A.M, Paetzel, M, Gold, M, Jones, J.B, Strynadka, N.C.J. | Deposit date: | 2000-04-06 | Release date: | 2000-05-10 | Last modified: | 2012-06-20 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,). Biochemistry, 39, 2000
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6LK2
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![BU of 6lk2 by Molmil](/molmil-images/mine/6lk2) | Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid | Descriptor: | (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid, 1,2-ETHANEDIOL, 3-dehydroquinate synthase, ... | Authors: | Neetu, N, Katiki, M, Kumar, P. | Deposit date: | 2019-12-17 | Release date: | 2020-07-29 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Structural and Biochemical Analyses Reveal that Chlorogenic Acid Inhibits the Shikimate Pathway. J.Bacteriol., 202, 2020
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