7QB2
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![BU of 7qb2 by Molmil](/molmil-images/mine/7qb2) | Pim1 in complex with (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2021-11-18 | Release date: | 2022-11-30 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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7QFM
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![BU of 7qfm by Molmil](/molmil-images/mine/7qfm) | Pim1 in complex with (E)-4-((2-oxoindolin-3-ylidene)methyl)benzoic acid and Pimtide | Descriptor: | 4-[(~{E})-(2-oxidanylidene-1~{H}-indol-3-ylidene)methyl]benzoic acid, GLYCEROL, Pimtide, ... | Authors: | Hochban, P.M.M, Heine, A, Diederich, W.E. | Deposit date: | 2021-12-06 | Release date: | 2022-12-21 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Pose, duplicate, then elaborate: Steps towards increased affinity for inhibitors targeting the specificity surface of the Pim-1 kinase. Eur.J.Med.Chem., 245, 2023
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7KKU
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![BU of 7kku by Molmil](/molmil-images/mine/7kku) | X-ray Counterpart to Neutron Structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, PHOSPHATE ION, Superoxide dismutase [Mn], ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KLB
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![BU of 7klb by Molmil](/molmil-images/mine/7klb) | X-ray Counterpart to Neutron Structure of Reduced Human MnSOD | Descriptor: | MANGANESE (II) ION, PHOSPHATE ION, POTASSIUM ION, ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-29 | Release date: | 2021-04-21 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KKW
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![BU of 7kkw by Molmil](/molmil-images/mine/7kkw) | Neutron structure of Reduced Human MnSOD | Descriptor: | MANGANESE (II) ION, Superoxide dismutase [Mn], mitochondrial, ... | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2024-04-10 | Method: | NEUTRON DIFFRACTION (2.3 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7KKS
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![BU of 7kks by Molmil](/molmil-images/mine/7kks) | Neutron structure of Oxidized Human MnSOD | Descriptor: | MANGANESE (III) ION, Superoxide dismutase [Mn], mitochondrial | Authors: | Azadmanesh, J, Lutz, W.E, Coates, L, Weiss, K.L, Borgstahl, G.E.O. | Deposit date: | 2020-10-28 | Release date: | 2021-04-21 | Last modified: | 2023-10-18 | Method: | NEUTRON DIFFRACTION (2.2 Å) | Cite: | Direct detection of coupled proton and electron transfers in human manganese superoxide dismutase. Nat Commun, 12, 2021
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7L4L
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![BU of 7l4l by Molmil](/molmil-images/mine/7l4l) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, SODIUM ION, ... | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | Deposit date: | 2020-12-19 | Release date: | 2021-09-22 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
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7L4E
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![BU of 7l4e by Molmil](/molmil-images/mine/7l4e) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto Acyl Carrier Protein, AcpP | Descriptor: | 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, ... | Authors: | Mindrebo, J.T, Chen, A, Kim, W.E, Burkart, M.D, Noel, J.P. | Deposit date: | 2020-12-18 | Release date: | 2021-10-06 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structure and Mechanistic Analyses of the Gating Mechanism of Elongating Ketosynthases Acs Catalysis, 11, 2021
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3UHU
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![BU of 3uhu by Molmil](/molmil-images/mine/3uhu) | HBI (M37A) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UH5
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![BU of 3uh5 by Molmil](/molmil-images/mine/3uh5) | HBI (L36F) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHH
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![BU of 3uhh by Molmil](/molmil-images/mine/3uhh) | HBI (M37A) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHR
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![BU of 3uhr by Molmil](/molmil-images/mine/3uhr) | HBI (L36F) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHD
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![BU of 3uhd by Molmil](/molmil-images/mine/3uhd) | HBI (N100A) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHQ
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![BU of 3uhq by Molmil](/molmil-images/mine/3uhq) | HBI (L36A) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHV
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![BU of 3uhv by Molmil](/molmil-images/mine/3uhv) | HBI (M37V,L73I) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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1INN
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![BU of 1inn by Molmil](/molmil-images/mine/1inn) | CRYSTAL STRUCTURE OF D. RADIODURANS LUXS, P21 | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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1J6X
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![BU of 1j6x by Molmil](/molmil-images/mine/1j6x) | CRYSTAL STRUCTURE OF HELICOBACTER PYLORI LUXS | Descriptor: | AUTOINDUCER-2 PRODUCTION PROTEIN LUXS, METHIONINE, ZINC ION | Authors: | Lewis, H.A, Furlong, E.B, Bergseid, M.G, Sanderson, W.E, Buchanan, S.G. | Deposit date: | 2001-05-14 | Release date: | 2001-06-08 | Last modified: | 2017-10-04 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | A structural genomics approach to the study of quorum sensing: crystal structures of three LuxS orthologs. Structure, 9, 2001
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3UGY
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![BU of 3ugy by Molmil](/molmil-images/mine/3ugy) | HBI (F80Y) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UI0
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![BU of 3ui0 by Molmil](/molmil-images/mine/3ui0) | HBI (T72G) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHE
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![BU of 3uhe by Molmil](/molmil-images/mine/3uhe) | HBI (M37V,L73I) CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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3UHS
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![BU of 3uhs by Molmil](/molmil-images/mine/3uhs) | HBI (L36M) deoxy | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Ren, Z, Srajer, V, Knapp, J.E, Royer Jr, W.E. | Deposit date: | 2011-11-03 | Release date: | 2011-12-28 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Cooperative macromolecular device revealed by meta-analysis of static and time-resolved structures. Proc.Natl.Acad.Sci.USA, 109, 2012
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1QSE
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![BU of 1qse by Molmil](/molmil-images/mine/1qse) | STRUCTURE OF HUMAN A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE V7R | Descriptor: | PROTEIN (MHC class I HLA-A), PROTEIN (beta-2 microglobulin), PROTEIN (human T-Cell receptor), ... | Authors: | Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C. | Deposit date: | 1999-06-21 | Release date: | 1999-12-21 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical. Immunity, 11, 1999
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1QSF
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![BU of 1qsf by Molmil](/molmil-images/mine/1qsf) | STRUCTURE OF A6-TCR BOUND TO HLA-A2 COMPLEXED WITH ALTERED HTLV-1 TAX PEPTIDE Y8A | Descriptor: | BETA-2 MICROGLOBULIN, HUMAN T-CELL RECEPTOR, MHC CLASS I HLA-A, ... | Authors: | Ding, Y.H, Baker, B.M, Garboczi, D.N, Biddison, W.E, Wiley, D.C. | Deposit date: | 1999-06-21 | Release date: | 1999-12-21 | Last modified: | 2021-11-03 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Four A6-TCR/peptide/HLA-A2 structures that generate very different T cell signals are nearly identical. Immunity, 11, 1999
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3G4W
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![BU of 3g4w by Molmil](/molmil-images/mine/3g4w) | Ligand migration and cavities within scapharca dimeric hemoglobin: wild type with co bound to heme and chlorobenzene bound to the XE4 cavity | Descriptor: | CARBON MONOXIDE, GLOBIN-1, PROTOPORPHYRIN IX CONTAINING FE, ... | Authors: | Knapp, J.E, Pahl, R, Cohen, J, Nichols, J.C, Schulten, K, Gibson, Q.H, Srajer, V, Royer Jr, W.E. | Deposit date: | 2009-02-04 | Release date: | 2009-12-01 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Ligand migration and cavities within Scapharca Dimeric HbI: studies by time-resolved crystallo-graphy, Xe binding, and computational analysis. Structure, 17, 2009
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5W87
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![BU of 5w87 by Molmil](/molmil-images/mine/5w87) | |