6NS3
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![BU of 6ns3 by Molmil](/molmil-images/mine/6ns3) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. I222 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.84 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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6NS2
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![BU of 6ns2 by Molmil](/molmil-images/mine/6ns2) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. P212121 crystal form. | Descriptor: | FE (II) ION, lipoxygenase | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.79 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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6NS4
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![BU of 6ns4 by Molmil](/molmil-images/mine/6ns4) | Crystal structure of fungal lipoxygenase from Fusarium graminearum. C2 crystal form. | Descriptor: | ACETATE ION, FE (II) ION, GLYCEROL, ... | Authors: | Pakhomova, S, Boeglin, W.E, Neau, D.B, Bartlett, S.G, Brash, A.R, Newcomer, M.E. | Deposit date: | 2019-01-24 | Release date: | 2019-03-27 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | An ensemble of lipoxygenase structures reveals novel conformations of the Fe coordination sphere. Protein Sci., 28, 2019
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6OKC
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![BU of 6okc by Molmil](/molmil-images/mine/6okc) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 1, Acyl carrier protein, N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-15 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OKG
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![BU of 6okg by Molmil](/molmil-images/mine/6okg) | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto Acyl Carrier Protein, AcpP | Descriptor: | 3-oxoacyl-[acyl-carrier-protein] synthase 2, Acyl carrier protein, N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide, ... | Authors: | Mindrebo, J.T, Kim, W.E, Bartholow, T.G, Chen, A, Davis, T.D, La Clair, J, Burkart, M.D, Noel, J.P. | Deposit date: | 2019-04-12 | Release date: | 2020-04-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Gating mechanism of elongating beta-ketoacyl-ACP synthases. Nat Commun, 11, 2020
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6OM8
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![BU of 6om8 by Molmil](/molmil-images/mine/6om8) | Caenorhabditis Elegans UDP-Glucose Dehydrogenase in complex with UDP-Xylose | Descriptor: | UDP-glucose 6-dehydrogenase, URIDINE-5'-DIPHOSPHATE-XYLOPYRANOSE | Authors: | Beattie, N.R, McDonald, W.E, Hicks Sirmans, T.N, Wood, Z.A. | Deposit date: | 2019-04-18 | Release date: | 2019-05-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.449 Å) | Cite: | Conservation of Atypical Allostery inC. elegansUDP-Glucose Dehydrogenase. Acs Omega, 4, 2019
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3SNP
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![BU of 3snp by Molmil](/molmil-images/mine/3snp) | |
3SN2
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![BU of 3sn2 by Molmil](/molmil-images/mine/3sn2) | |
1JZK
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![BU of 1jzk by Molmil](/molmil-images/mine/1jzk) | Crystal Structure of Scapharca inaequivalvis HbI, I114F mutant (deoxy) | Descriptor: | GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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1JZM
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![BU of 1jzm by Molmil](/molmil-images/mine/1jzm) | Crystal Structure of Scapharca inaequivalvis HbI, I114M Mutant in the Absence of ligand. | Descriptor: | GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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1JZL
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![BU of 1jzl by Molmil](/molmil-images/mine/1jzl) | Crystal structure of Sapharca inaequivalvis HbI, I114M mutant ligated to carbon monoxide. | Descriptor: | CARBON MONOXIDE, GLOBIN I - ARK SHELL, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Gibson, Q.H, Cushing, L, Royer Jr, W.E. | Deposit date: | 2001-09-16 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Restricting the Ligand-Linked Heme Movement in Scapharca Dimeric Hemoglobin Reveals Tight Coupling between Distal and Proximal
Contributions to Cooperativity. Biochemistry, 40, 2001
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2JV7
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![BU of 2jv7 by Molmil](/molmil-images/mine/2jv7) | |
2GRH
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![BU of 2grh by Molmil](/molmil-images/mine/2grh) | M37V mutant of Scapharca dimeric hemoglobin, with CO bound | Descriptor: | CARBON MONOXIDE, Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E. | Deposit date: | 2006-04-24 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin. Proc.Natl.Acad.Sci.Usa, 103, 2006
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2GRF
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![BU of 2grf by Molmil](/molmil-images/mine/2grf) | Crystal structure of Scapharca inaequivalvis HBI, M37V mutant in the absence of ligand | Descriptor: | Globin-1, PROTOPORPHYRIN IX CONTAINING FE | Authors: | Knapp, J.E, Pahl, R, Srajer, V, Royer Jr, W.E. | Deposit date: | 2006-04-24 | Release date: | 2006-05-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Allosteric action in real time: Time-resolved crystallographic studies of a cooperative dimeric hemoglobin. Proc.Natl.Acad.Sci.Usa, 103, 2006
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4LCJ
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![BU of 4lcj by Molmil](/molmil-images/mine/4lcj) | CtBP2 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 2, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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4LCE
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![BU of 4lce by Molmil](/molmil-images/mine/4lce) | CtBP1 in complex with substrate MTOB | Descriptor: | 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID, C-terminal-binding protein 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Hilbert, B.J, Schiffer, C.A, Royer Jr, W.E. | Deposit date: | 2013-06-21 | Release date: | 2014-03-19 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Crystal structures of human CtBP in complex with substrate MTOB reveal active site features useful for inhibitor design. Febs Lett., 588, 2014
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1FMU
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![BU of 1fmu by Molmil](/molmil-images/mine/1fmu) | STRUCTURE OF NATIVE PROTEINASE A IN P3221 SPACE GROUP. | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ... | Authors: | Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A. | Deposit date: | 2000-08-18 | Release date: | 2002-07-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae. Biochem.Biophys.Res.Commun., 295, 2002
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1FMX
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![BU of 1fmx by Molmil](/molmil-images/mine/1fmx) | STRUCTURE OF NATIVE PROTEINASE A IN THE SPACE GROUP P21 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SACCHAROPEPSIN, ... | Authors: | Gustchina, A, Li, M, Phylip, L.H, Lees, W.E, Kay, J, Wlodawer, A. | Deposit date: | 2000-08-18 | Release date: | 2002-07-31 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | An unusual orientation for Tyr75 in the active site of the aspartic proteinase from Saccharomyces cerevisiae. Biochem.Biophys.Res.Commun., 295, 2002
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1HBG
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![BU of 1hbg by Molmil](/molmil-images/mine/1hbg) | GLYCERA DIBRANCHIATA HEMOGLOBIN. STRUCTURE AND REFINEMENT AT 1.5 ANGSTROMS RESOLUTION | Descriptor: | CARBON MONOXIDE, HEMOGLOBIN (CARBONMONOXY), PROTOPORPHYRIN IX CONTAINING FE | Authors: | Arents, G.A, Braden, B.C, Padlan, E.A, Love, W.E. | Deposit date: | 1991-02-11 | Release date: | 1992-07-15 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Glycera dibranchiata hemoglobin. Structure and refinement at 1.5 A resolution. J.Mol.Biol., 210, 1989
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1NWN
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![BU of 1nwn by Molmil](/molmil-images/mine/1nwn) | |
1NWI
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![BU of 1nwi by Molmil](/molmil-images/mine/1nwi) | |
2OIP
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![BU of 2oip by Molmil](/molmil-images/mine/2oip) | |
2PQZ
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![BU of 2pqz by Molmil](/molmil-images/mine/2pqz) | HIV-1 Protease in complex with a pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(N-BENZYLBENZENESULFONAMIDE), Protease | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-05-03 | Release date: | 2008-04-15 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Structure-Guided Design of C2-Symmetric HIV-1 Protease Inhibitors Based on a Pyrrolidine Scaffold. J.Med.Chem., 51, 2008
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2MCX
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![BU of 2mcx by Molmil](/molmil-images/mine/2mcx) | Solid-state NMR structure of piscidin 3 in aligned 1:1 phosphatidylethanolamine/phosphoglycerol lipid bilayers | Descriptor: | Piscidin-3 | Authors: | Fu, R, Tian, Y, Perrin Jr, B.S, Grant, C.V, Wieczorek, W.E, Pastor, R.W, Cotten, M.L. | Deposit date: | 2013-08-27 | Release date: | 2014-01-22 | Last modified: | 2021-08-18 | Method: | SOLID-STATE NMR | Cite: | High-resolution structures and orientations of antimicrobial peptides piscidin 1 and piscidin 3 in fluid bilayers reveal tilting, kinking, and bilayer immersion. J.Am.Chem.Soc., 136, 2014
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2R43
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![BU of 2r43 by Molmil](/molmil-images/mine/2r43) | I50V HIV-1 protease in complex with an amino decorated pyrrolidine-based inhibitor | Descriptor: | CHLORIDE ION, GLYCEROL, N,N'-(3S,4S)-PYRROLIDINE-3,4-DIYLBIS(4-AMINO-N-BENZYLBENZENESULFONAMIDE), ... | Authors: | Boettcher, J, Blum, A, Heine, A, Diederich, W.E, Klebe, G. | Deposit date: | 2007-08-30 | Release date: | 2008-09-09 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1.58 Å) | Cite: | Structural and Kinetic Analysis of Pyrrolidine-Based Inhibitors of the Drug-Resistant Ile84Val Mutant of HIV-1 Protease J.Mol.Biol., 383, 2008
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