1B8L
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![BU of 1b8l by Molmil](/molmil-images/mine/1b8l) | Calcium-bound D51A/E101D/F102W Triple Mutant of Beta Carp Parvalbumin | Descriptor: | CALCIUM ION, CARBONATE ION, PROTEIN (PARVALBUMIN) | Authors: | Cates, M.S, Berry, M.B, Ho, E, Li, Q, Potter, J.D, Phillips Jr, G.N. | Deposit date: | 1999-02-01 | Release date: | 1999-10-05 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Metal-ion affinity and specificity in EF-hand proteins: coordination geometry and domain plasticity in parvalbumin. Structure Fold.Des., 7, 1999
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1ATG
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![BU of 1atg by Molmil](/molmil-images/mine/1atg) | AZOTOBACTER VINELANDII PERIPLASMIC MOLYBDATE-BINDING PROTEIN | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, PERIPLASMIC MOLYBDATE-BINDING PROTEIN, ... | Authors: | Lawson, D.M, Pau, R.N, Williams, C.E.M, Mitchenall, L.A. | Deposit date: | 1997-08-14 | Release date: | 1998-10-14 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Ligand size is a major determinant of specificity in periplasmic oxyanion-binding proteins: the 1.2 A resolution crystal structure of Azotobacter vinelandii ModA. Structure, 6, 1998
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5WW0
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![BU of 5ww0 by Molmil](/molmil-images/mine/5ww0) | Crystal structure of Set7, a novel histone methyltransferase in Schizossacharomyces pombe | Descriptor: | SET domain-containing protein 7, SULFATE ION | Authors: | Mevius, D.E.H.F, Shen, Y, Morishita, M, Carrozzini, B, Caliandro, R, di Luccio, E. | Deposit date: | 2016-12-30 | Release date: | 2017-12-06 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Set7 Is a H3K37 Methyltransferase in Schizosaccharomyces pombe and Is Required for Proper Gametogenesis. Structure, 27, 2019
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6WU0
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7BOD
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![BU of 7bod by Molmil](/molmil-images/mine/7bod) | Bacterial 30S ribosomal subunit assembly complex state M (body domain) | Descriptor: | 16S rRNA (body domain of 30S subunit), 30S ribosomal protein S11, 30S ribosomal protein S12, ... | Authors: | Schedlbauer, A, Iturrioz, I, Ochoa-Lizarralde, B, Diercks, T, Lopez-Alonso, J, Kaminishi, T, Capuni, R, Astigarraga, E, Gil-Carton, D, Fucini, P, Connell, S.R. | Deposit date: | 2021-01-25 | Release date: | 2021-07-07 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.88 Å) | Cite: | A conserved rRNA switch is central to decoding site maturation on the small ribosomal subunit. Sci Adv, 7, 2021
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1G5U
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![BU of 1g5u by Molmil](/molmil-images/mine/1g5u) | LATEX PROFILIN HEVB8 | Descriptor: | PROFILIN, SODIUM ION | Authors: | Fedorov, A.A, Fedorov, E.V, Ganglberger, E, Breiteneder, H, Almo, S.C. | Deposit date: | 2000-11-02 | Release date: | 2000-11-22 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | A Comparative Structural Analysis of Allergen Profilins HEVB8 and BETV2 To be Published
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2GCH
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8D40
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7BG0
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![BU of 7bg0 by Molmil](/molmil-images/mine/7bg0) | Fusion of MBP and the backbone of the long-acting amylin analog AM833. | Descriptor: | Maltose/maltodextrin-binding periplasmic protein,Islet amyloid polypeptide, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose | Authors: | Johansson, E. | Deposit date: | 2021-01-05 | Release date: | 2021-08-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.89 Å) | Cite: | Development of Cagrilintide, a Long-Acting Amylin Analogue. J.Med.Chem., 64, 2021
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6N60
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![BU of 6n60 by Molmil](/molmil-images/mine/6n60) | Escherichia coli RNA polymerase sigma70-holoenzyme bound to upstream fork promoter DNA and Microcin J25 (MccJ25) | Descriptor: | DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... | Authors: | Braffman, N, Hauver, J, Campbell, E.A, Darst, S.A. | Deposit date: | 2018-11-23 | Release date: | 2019-01-09 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (3.68 Å) | Cite: | Structural mechanism of transcription inhibition by lasso peptides microcin J25 and capistruin. Proc. Natl. Acad. Sci. U.S.A., 116, 2019
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1Z0W
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![BU of 1z0w by Molmil](/molmil-images/mine/1z0w) | Crystal Structure of A. fulgidus Lon proteolytic domain at 1.2A resolution | Descriptor: | CALCIUM ION, Putative protease La homolog type | Authors: | Botos, I, Melnikov, E.E, Cherry, S, Kozlov, S, Makhovskaya, O.V, Tropea, J.E, Gustchina, A, Rotanova, T.V, Wlodawer, A. | Deposit date: | 2005-03-02 | Release date: | 2005-08-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Atomic-resolution Crystal Structure of the Proteolytic Domain of Archaeoglobus fulgidus Lon Reveals the Conformational Variability in the Active Sites of Lon Proteases J.Mol.Biol., 351, 2005
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6TN5
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![BU of 6tn5 by Molmil](/molmil-images/mine/6tn5) | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures | Descriptor: | CHLORIDE ION, Heat shock protein HSP 90-alpha, ~{N}-(4-aminocarbonylphenyl)-~{N}-methyl-2,4-bis(oxidanyl)benzamide | Authors: | Baker, L.M, Aimon, A, Murray, J.B, Surgenor, A.E, Matassova, N, Roughley, S.D, von Delft, F, Hubbard, R.E. | Deposit date: | 2019-12-05 | Release date: | 2020-10-14 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.165 Å) | Cite: | Rapid optimisation of fragments and hits to lead compounds from screening of crude reaction mixtures Commun Chem, 2020
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6HL3
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![BU of 6hl3 by Molmil](/molmil-images/mine/6hl3) | wild-type NuoEF from Aquifex aeolicus - oxidized form bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, CHLORIDE ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-10 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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6HLM
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![BU of 6hlm by Molmil](/molmil-images/mine/6hlm) | Variant G129D of NuoEF from Aquifex aeolicus bound to NAD+ | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ... | Authors: | Gerhardt, S, Friedrich, T, Einsle, O, Gnandt, E, Schulte, M, Fiegen, D. | Deposit date: | 2018-09-11 | Release date: | 2019-06-26 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A mechanism to prevent production of reactive oxygen species by Escherichia coli respiratory complex I. Nat Commun, 10, 2019
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7BCS
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![BU of 7bcs by Molmil](/molmil-images/mine/7bcs) | ASCT2 in the presence of the inhibitor Lc-BPE (position "down") in the outward-open conformation. | Descriptor: | (2~{S},4~{S})-4-(4-phenylphenyl)carbonyloxypyrrolidine-2-carboxylic acid, Neutral amino acid transporter B(0) | Authors: | Garibsingh, R.A, Ndaru, E, Garaeva, A.A, Shi, Y, Zielewicz, L, Bonomi, M, Slotboom, D.J, Paulino, C, Grewer, C, Schlessinger, A. | Deposit date: | 2020-12-21 | Release date: | 2021-09-22 | Last modified: | 2024-07-10 | Method: | ELECTRON MICROSCOPY (3.43 Å) | Cite: | Rational design of ASCT2 inhibitors using an integrated experimental-computational approach. Proc.Natl.Acad.Sci.USA, 118, 2021
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6HQQ
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![BU of 6hqq by Molmil](/molmil-images/mine/6hqq) | Crystal structure of GcoA F169A bound to syringol | Descriptor: | 2,6-dimethoxyphenol, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Mallinson, S.J.B, Hinchen, D.J, Allen, M.D, Johnson, C.W, Beckham, G.T, McGeehan, J.E. | Deposit date: | 2018-09-25 | Release date: | 2019-07-03 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.66 Å) | Cite: | Enabling microbial syringol conversion through structure-guided protein engineering. Proc.Natl.Acad.Sci.USA, 116, 2019
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4DV3
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![BU of 4dv3 by Molmil](/molmil-images/mine/4dv3) | Crystal structure of the Thermus thermophilus 30S ribosomal subunit with a 16S rRNA mutation, C912A, bound with streptomycin | Descriptor: | 16S rRNA, MAGNESIUM ION, STREPTOMYCIN, ... | Authors: | Demirci, H, Murphy IV, F, Murphy, E, Gregory, S.T, Dahlberg, A.E, Jogl, G. | Deposit date: | 2012-02-22 | Release date: | 2013-02-27 | Method: | X-RAY DIFFRACTION (3.547 Å) | Cite: | A structural basis for streptomycin resistance To be Published
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1O5D
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![BU of 1o5d by Molmil](/molmil-images/mine/1o5d) | Dissecting and Designing Inhibitor Selectivity Determinants at the S1 site Using an Artificial Ala190 Protease (Ala190 uPA) | Descriptor: | 2-{5-[AMINO(IMINIO)METHYL]-6-FLUORO-1H-BENZIMIDAZOL-2-YL}-6-[(2-METHYLCYCLOHEXYL)OXY]BENZENOLATE, Coagulation factor VII, Tissue factor | Authors: | Katz, B.A, Luong, C, Ho, J.D, Somoza, J.R, Gjerstad, E, Tang, J, Williams, S.R, Verner, E, Mackman, R.L, Young, W.B, Sprengeler, P.A, Chan, H, Mortara, K, Janc, J.W, McGrath, M.E. | Deposit date: | 2003-09-09 | Release date: | 2004-09-21 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Dissecting and designing inhibitor selectivity determinants at the S1 site using an artificial Ala190 protease (Ala190 uPA). J.Mol.Biol., 344, 2004
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1R4Q
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![BU of 1r4q by Molmil](/molmil-images/mine/1r4q) | Shiga toxin | Descriptor: | SHT cytotoxin A subunit, Shigella toxin chain B | Authors: | Fraser, M.E, Fujinaga, M, Cherney, M.M, Melton-Celsa, A.R, Twiddy, E.M, O'Brien, A.D, James, M.N.G. | Deposit date: | 2003-10-07 | Release date: | 2004-05-11 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structure of Shiga Toxin Type 2 (Stx2) from Escherichia coli O157:H7. J.Biol.Chem., 279, 2004
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6TT3
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5SVM
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![BU of 5svm by Molmil](/molmil-images/mine/5svm) | Crystal structure of the ATP-gated human P2X3 ion channel bound to agonist 2-methylthio-ATP in the desensitized state | Descriptor: | 1,2-ETHANEDIOL, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Mansoor, S.E, Lu, W, Oosterheert, W, Shekhar, M, Tajkhorshid, E, Gouaux, E. | Deposit date: | 2016-08-06 | Release date: | 2016-09-28 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3.093 Å) | Cite: | X-ray structures define human P2X3 receptor gating cycle and antagonist action. Nature, 538, 2016
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6NB7
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![BU of 6nb7 by Molmil](/molmil-images/mine/6nb7) | SARS-CoV complex with human neutralizing S230 antibody Fab fragment (state 2) | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, S230 heavy chain, ... | Authors: | Walls, A.C, Xiong, X, Park, Y.J, Tortorici, M.A, Snijder, S, Quispe, J, Cameroni, E, Gopal, R, Mian, D, Lanzavecchia, A, Zambon, M, Rey, F.A, Corti, D, Veesler, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID) | Deposit date: | 2018-12-06 | Release date: | 2019-02-06 | Last modified: | 2020-07-29 | Method: | ELECTRON MICROSCOPY (4.5 Å) | Cite: | Unexpected Receptor Functional Mimicry Elucidates Activation of Coronavirus Fusion. Cell, 176, 2019
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6SW9
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![BU of 6sw9 by Molmil](/molmil-images/mine/6sw9) | IC2A model of cryo-EM structure of a full archaeal ribosomal translation initiation complex devoid of aIF1 in P. abyssi | Descriptor: | 16S ribosomal RNA, 30S ribosomal protein S10, 30S ribosomal protein S11, ... | Authors: | Coureux, P.-D, Mechulam, Y, Schmitt, E. | Deposit date: | 2019-09-20 | Release date: | 2020-02-19 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (4.2 Å) | Cite: | Cryo-EM study of an archaeal 30S initiation complex gives insights into evolution of translation initiation. Commun Biol, 3, 2020
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6NES
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![BU of 6nes by Molmil](/molmil-images/mine/6nes) | FAD-dependent monooxygenase TropB from T. stipitatus | Descriptor: | CHLORIDE ION, FAD-dependent monooxygenase tropB, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Rodriguez Benitez, A, Tweedy, S.E, Baker Dockrey, S.A, Lukowski, A.L, Wymore, T, Khare, D, Brooks, C.L, Palfey, B.A, Smith, J.L, Narayan, A.R.H. | Deposit date: | 2018-12-18 | Release date: | 2019-08-14 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis for selectivity in flavin-dependent monooxygenase-catalyzed oxidative dearomatization. Acs Catalysis, 9, 2019
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7ZSD
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![BU of 7zsd by Molmil](/molmil-images/mine/7zsd) | cryo-EM structure of omicron spike in complex with de novo designed binder, local | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder | Authors: | Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C. | Deposit date: | 2022-05-06 | Release date: | 2023-03-01 | Last modified: | 2023-05-24 | Method: | ELECTRON MICROSCOPY (3.29 Å) | Cite: | De novo design of protein interactions with learned surface fingerprints. Nature, 617, 2023
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