3ZFE
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![BU of 3zfe by Molmil](/molmil-images/mine/3zfe) | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | CHLORIDE ION, SODIUM ION, SPHINGOSINE, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BTT
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![BU of 4btt by Molmil](/molmil-images/mine/4btt) | factor Xa in complex with the dual thrombin-FXa inhibitor 31. | Descriptor: | CALCIUM ION, COAGULATION FACTOR X, COAGULATION FACTOR X LIGHT CHAIN, ... | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.59 Å) | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4BTU
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![BU of 4btu by Molmil](/molmil-images/mine/4btu) | Factor Xa in complex with the dual thrombin-FXa inhibitor 57. | Descriptor: | 5-Chloro-thiophene-2-carboxylic acid [(S)-2-[2-chloro-5-fluoro-3-(2-oxo-piperidin-1-yl)-benzenesulfonylamino]-3-(4-methyl-piperazin-1-yl)-3-oxo-propyl]-amide, CALCIUM ION, COAGULATION FACTOR X HEAVY CHAIN, ... | Authors: | Meneyrol, J, Follmann, M, Lassalle, G, Wehner, V, Barre, G, Rousseaux, T, Altenburger, J.M, Petit, F, Bocskei, Z, Stehlin-Gaon, C, Schreuder, H, Alet, N, Herault, J.-P, Millet, L, Dol, F, Hasbrand, C, Schaeffer, P, Sadoun, F, Klieber, S, Briot, C, Bono, F, Herbert, J.-M. | Deposit date: | 2013-06-19 | Release date: | 2013-12-18 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.37 Å) | Cite: | 5-Chlorothiophene-2-Carboxylic Acid [(S)-2-[2-Methyl-3-(2-Oxopyrrolidin-1-Yl)Benzenesulfonylamino]-3-(4-Methylpiperazin-1-Yl)-3-Oxopropyl]Amide (Sar107375), a Selective and Potent Orally Active Dual Thrombin and Factor Xa Inhibitor. J.Med.Chem., 56, 2013
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4A8D
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![BU of 4a8d by Molmil](/molmil-images/mine/4a8d) | DegP dodecamer with bound OMP | Descriptor: | OUTER MEMBRANE PROTEIN C, PERIPLASMIC SERINE ENDOPROTEASE DEGP | Authors: | Malet, H, Krojer, T, Sawa, J, Schafer, E, Saibil, H.R, Ehrmann, M, Clausen, T. | Deposit date: | 2011-11-20 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (28 Å) | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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6CV5
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![BU of 6cv5 by Molmil](/molmil-images/mine/6cv5) | |
6FWN
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![BU of 6fwn by Molmil](/molmil-images/mine/6fwn) | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor | Descriptor: | von Willebrand factor | Authors: | Xu, E.-R, von Buelow, S, Chen, P.-C, Lenting, P.J, Kolsek, K, Aponte-Santamaria, C, Simon, B, Foot, J, Obser, T, Graeter, F, Schneppenheim, R, Denis, C.V, Wilmanns, M, Hennig, J. | Deposit date: | 2018-03-06 | Release date: | 2018-10-24 | Last modified: | 2019-05-08 | Method: | SOLUTION NMR | Cite: | Structure and dynamics of the platelet integrin-binding C4 domain of von Willebrand factor. Blood, 133, 2019
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4CTI
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![BU of 4cti by Molmil](/molmil-images/mine/4cti) | Escherichia coli EnvZ histidine kinase catalytic part fused to Archaeoglobus fulgidus Af1503 HAMP domain | Descriptor: | OSMOLARITY SENSOR PROTEIN ENVZ, AF1503 | Authors: | Ferris, H.U, Coles, M, Lupas, A.N, Hartmann, M.D. | Deposit date: | 2014-03-13 | Release date: | 2014-04-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.847 Å) | Cite: | Crystallographic Snapshot of the Escherichia Coli Envz Histidine Kinase in an Active Conformation. J.Struct.Biol., 186, 2014
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4A8A
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![BU of 4a8a by Molmil](/molmil-images/mine/4a8a) | Asymmetric cryo-EM reconstruction of E. coli DegQ 12-mer in complex with lysozyme | Descriptor: | LYSOZYME C, PERIPLASMIC PH-DEPENDENT SERINE ENDOPROTEASE DEGQ | Authors: | Malet, H, Canellas, F, Sawa, J, Yan, J, Thalassinos, K, Ehrmann, M, Clausen, T, Saibil, H.R. | Deposit date: | 2011-11-20 | Release date: | 2011-12-28 | Last modified: | 2024-05-08 | Method: | ELECTRON MICROSCOPY (14.2 Å) | Cite: | Newly Folded Substrates Inside the Molecular Cage of the Htra Chaperone Degq Nat.Struct.Mol.Biol., 19, 2012
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3ZGN
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![BU of 3zgn by Molmil](/molmil-images/mine/3zgn) | Crystal structures of Escherichia coli IspH in complex with TMBPP a potent inhibitor of the methylerythritol phosphate pathway | Descriptor: | (2E)-3-methyl-4-sulfanylbut-2-en-1-yl trihydrogen diphosphate, 4-HYDROXY-3-METHYLBUT-2-ENYL DIPHOSPHATE REDUCTASE, IRON/SULFUR CLUSTER | Authors: | Borel, F, Barbier, E, Kratsutsky, S, Janthawornpong, K, Rohmer, M, Dale Poulter, C, Ferrer, J.L, Seemann, M. | Deposit date: | 2012-12-18 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Further Insight into Crystal Structures of Escherichia coli IspH/LytB in Complex with Two Potent Inhibitors of the MEP Pathway: A Starting Point for Rational Design of New Antimicrobials. Chembiochem, 18, 2017
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3ZFG
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![BU of 3zfg by Molmil](/molmil-images/mine/3zfg) | Human enterovirus 71 in complex with capsid binding inhibitor WIN51711 | Descriptor: | 5-(7-(4-(4,5-DIHYDRO-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE, VP1, VP2, ... | Authors: | Plevka, P, Perera, R, Yap, M.L, Cardosa, J, Kuhn, R.J, Rossmann, M.G. | Deposit date: | 2012-12-11 | Release date: | 2013-03-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.2 Å) | Cite: | Structure of Human Enterovirus 71 in Complex with a Capsid-Binding Inhibitor. Proc.Natl.Acad.Sci.USA, 110, 2013
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4BWF
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![BU of 4bwf by Molmil](/molmil-images/mine/4bwf) | Pex4p-Pex22p disulphide bond mutant | Descriptor: | 1,2-ETHANEDIOL, PEROXISOME ASSEMBLY PROTEIN 22, UBIQUITIN-CONJUGATING ENZYME E2-21 KDA | Authors: | Williams, C, van den Berg, M, Stanley, W.A, Wilmanns, M, Distel, B. | Deposit date: | 2013-07-01 | Release date: | 2013-07-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.23 Å) | Cite: | A Disulphide Bond in the E2 Enzyme Pex4P Modulates Ubiquitin-Conjugating Activity Sci.Rep., 3, 2013
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4C1Y
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![BU of 4c1y by Molmil](/molmil-images/mine/4c1y) | Crystal Structure of Fucose binding lectin from Aspergillus Fumigatus (AFL) in complex with b-methylfucoside | Descriptor: | CALCIUM ION, DI(HYDROXYETHYL)ETHER, FUCOSE-SPECIFIC LECTIN FLEA, ... | Authors: | Houser, J, Komarek, J, Kostlanova, N, Lahmann, M, Cioci, G, Varrot, A, Imberty, A, Wimmerova, M. | Deposit date: | 2013-08-14 | Release date: | 2014-08-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Structural Insights Into Aspergillus Fumigatus Lectin Specificity: Afl Binding Sites are Functionally Non-Equivalent. Acta Crystallogr.,Sect.D, 71, 2015
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5OVT
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![BU of 5ovt by Molmil](/molmil-images/mine/5ovt) | Thiobacillus denitrificans BPH in complex with Epoxomicin | Descriptor: | BPH, Epoxomicin, PHOSPHATE ION | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | Deposit date: | 2017-08-29 | Release date: | 2017-12-06 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties. J. Biol. Chem., 293, 2018
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5OVS
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![BU of 5ovs by Molmil](/molmil-images/mine/5ovs) | Thiobacillus denitrificans BPH | Descriptor: | BPH | Authors: | Fuchs, A.C.D, Albrecht, R, Martin, J, Hartmann, M.D. | Deposit date: | 2017-08-29 | Release date: | 2017-12-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural characterization of the bacterial proteasome homolog BPH reveals a tetradecameric double-ring complex with unique inner cavity properties. J. Biol. Chem., 293, 2018
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8RC4
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![BU of 8rc4 by Molmil](/molmil-images/mine/8rc4) | Structure of Integrator-PP2A complex | Descriptor: | DSS1, Integrator complex subunit 1, Integrator complex subunit 10, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-06 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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8RBZ
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![BU of 8rbz by Molmil](/molmil-images/mine/8rbz) | Structure of Integrator-PP2A-SOSS-CTD post-termination complex | Descriptor: | DNA-directed RNA polymerase subunit, DSS1, Integrator complex subunit 1, ... | Authors: | Fianu, I, Ochmann, M, Walshe, J.L, Cramer, P. | Deposit date: | 2023-12-05 | Release date: | 2024-02-07 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (3.7 Å) | Cite: | Structural basis of Integrator-dependent RNA polymerase II termination. Nature, 629, 2024
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8RDP
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![BU of 8rdp by Molmil](/molmil-images/mine/8rdp) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8a | Descriptor: | (5~{S})-3-(2-chlorophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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8RDR
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![BU of 8rdr by Molmil](/molmil-images/mine/8rdr) | Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with spiro-isoxazol based compound 8g | Descriptor: | (5~{S})-3-(2-nitrophenyl)-1-oxa-2,9-diazaspiro[4.5]dec-2-ene-8,10-dione, Cereblon isoform 4, PHOSPHATE ION, ... | Authors: | Bischof, L, Hartmann, M.D. | Deposit date: | 2023-12-08 | Release date: | 2024-04-10 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Discovery and characterization of potent spiro-isoxazole-based cereblon ligands with a novel binding mode. Eur.J.Med.Chem., 270, 2024
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5O3Q
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![BU of 5o3q by Molmil](/molmil-images/mine/5o3q) | Carbon regulatory PII-like protein SbtB from Synechocystis sp. 6803 in complex with cyclic AMP (cAMP) | Descriptor: | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, BICARBONATE ION, Membrane-associated protein slr1513 | Authors: | Selim, K.A, Albrecht, R, Forchhammer, K, Hartmann, M.D. | Deposit date: | 2017-05-24 | Release date: | 2018-05-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | PII-like signaling protein SbtB links cAMP sensing with cyanobacterial inorganic carbon response. Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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7OAH
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![BU of 7oah by Molmil](/molmil-images/mine/7oah) | conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A | Descriptor: | General control transcription factor GCN4,conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A,General control transcription factor GCN4, TETRAETHYLENE GLYCOL | Authors: | Adlakha, J, Albrecht, R, Hartmann, M.D. | Deposit date: | 2021-04-19 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.694 Å) | Cite: | conserved hypothetical protein residues 311-335 from Candidatus Magnetomorum sp. HK-1 fused to GCN4 adaptors, mutant beta2/A To Be Published
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6CRS
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![BU of 6crs by Molmil](/molmil-images/mine/6crs) | |
4CHG
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![BU of 4chg by Molmil](/molmil-images/mine/4chg) | Crystal structure of VapBC15 complex from Mycobacterium tuberculosis | Descriptor: | ANTITOXIN VAPB15, MAGNESIUM ION, MANGANESE (II) ION, ... | Authors: | Das, U, Pogenberg, V, Tiruttani Subhramanyam, U.K, Wilmanns, M, Srinivasan, A, Gourinath, S. | Deposit date: | 2013-12-02 | Release date: | 2014-11-12 | Last modified: | 2018-03-07 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of the Vapbc-15 Complex from Mycobacterium Tuberculosis Reveals a Two-Metal Ion Dependent Pin-Domain Ribonuclease And a Variable Mode of Toxin-Antitoxin Assembly. J.Struct.Biol., 188, 2014
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6FQY
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![BU of 6fqy by Molmil](/molmil-images/mine/6fqy) | Plasmodium falciparum 6-phosphogluconate dehydrogenase in its apo form, in complex with its cofactor NADP+ and in complex with its substrate 6-phosphogluconate | Descriptor: | 1,2-ETHANEDIOL, 6-phosphogluconate dehydrogenase, decarboxylating, ... | Authors: | Fritz-Wolf, K, Haeussler, K, Reichmann, M, Rahlfs, S, Becker, K. | Deposit date: | 2018-02-15 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Characterization of Plasmodium falciparum 6-Phosphogluconate Dehydrogenase as an Antimalarial Drug Target. J. Mol. Biol., 430, 2018
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3ZO7
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![BU of 3zo7 by Molmil](/molmil-images/mine/3zo7) | Crystal structure of ClcFE27A with substrate | Descriptor: | (2S)-2-chloranyl-2-[(2R)-5-oxidanylidene-2H-furan-2-yl]ethanoic acid, 5-CHLOROMUCONOLACTONE DEHALOGENASE, CHLORIDE ION | Authors: | Roth, C, Groening, J.A.D, Kaschabek, S.R, Schloemann, M, Straeter, N. | Deposit date: | 2013-02-20 | Release date: | 2013-03-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.224 Å) | Cite: | Crystal Structure and Catalytic Mechanism of Chloromuconolactone Dehalogenase Clcf from Rhodococcus Opacus 1Cp. Mol.Microbiol., 88, 2013
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6CRU
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![BU of 6cru by Molmil](/molmil-images/mine/6cru) | |