4UE7
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ue7 by Molmil](/molmil-images/mine/4ue7) | Thrombin in complex with 1-amidinopiperidine | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2014-12-16 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.129 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
|
|
4UFH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufh by Molmil](/molmil-images/mine/4ufh) | Mouse Galactocerebrosidase complexed with iso-galacto-fagomine IGF | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.16 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UFR
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufr by Molmil](/molmil-images/mine/4ufr) | |
6KQB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kqb by Molmil](/molmil-images/mine/6kqb) | A long chain secondary alcohol dehydrogenase of Micrococcus luteus | Descriptor: | 3-hydroxybutyryl-CoA dehydrogenase | Authors: | Kim, H.J, Kim, J.S. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.261 Å) | Cite: | Cofactor specificity engineering of a long-chain secondary alcohol dehydrogenase from Micrococcus luteus for redox-neutral biotransformation of fatty acids. Chem.Commun.(Camb.), 55, 2019
|
|
4UFK
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufk by Molmil](/molmil-images/mine/4ufk) | Mouse Galactocerebrosidase complexed with dideoxy-imino-lyxitol DIL | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.402 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UI1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ui1 by Molmil](/molmil-images/mine/4ui1) | Crystal structure of the human RGMC-BMP2 complex | Descriptor: | 1,2-ETHANEDIOL, BONE MORPHOGENETIC PROTEIN 2, CHLORIDE ION, ... | Authors: | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
|
|
4UIO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uio by Molmil](/molmil-images/mine/4uio) | Structure of the Salmonella typhi Type I Dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative | Descriptor: | (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid, 3-DEHYDROQUINATE DEHYDRATASE, CHLORIDE ION, ... | Authors: | Otero, J.M, Llamas-Saiz, A.L, Tizon, L, Lence, E, Thompson, P, Hawkins, A.R, Gonzalez-Bello, C, van Raaij, M.J. | Deposit date: | 2015-03-30 | Release date: | 2015-07-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.35 Å) | Cite: | Chemical Modification of a Dehydratase Enzyme Involved in Bacterial Virulence by an Ammonium Derivative: Evidence of its Active Site Covalent Adduct. J.Am.Chem.Soc., 137, 2015
|
|
4U4T
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u4t by Molmil](/molmil-images/mine/4u4t) | Structure of a nitrate/nitrite antiporter NarK in nitrate-bound inward-open state | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, NITRATE ION, Nitrate/nitrite transporter NarK, ... | Authors: | Fukuda, M, Takeda, H, Kato, H.E, Doki, S, Ito, K, Maturana, A.D, Ishitani, R, Nureki, O. | Deposit date: | 2014-07-24 | Release date: | 2015-07-15 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural basis for dynamic mechanism of nitrate/nitrite antiport by NarK Nat Commun, 6, 2015
|
|
4U6X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4u6x by Molmil](/molmil-images/mine/4u6x) | Crystal Structure of HLA-A*0201 in complex with ALQDA, a 15 mer self-peptide | Descriptor: | ALQDA peptide, ALQDAGDSSRKEYFI, Beta-2-microglobulin, ... | Authors: | Gras, S, Chabrol, E, Rossjohn, J. | Deposit date: | 2014-07-30 | Release date: | 2014-12-24 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Naturally Processed Non-canonical HLA-A*02:01 Presented Peptides. J.Biol.Chem., 290, 2015
|
|
4UNE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4une by Molmil](/molmil-images/mine/4une) | Human insulin B26Phe mutant crystal structure | Descriptor: | INSULIN A CHAIN, INSULIN B CHAIN, SULFATE ION | Authors: | Zakova, L, Klevtikova, E, Lepsik, M, Collinsova, M, Watson, C.J, Turkenburg, J.P, Jiracek, J, Brzozowski, A.M. | Deposit date: | 2014-05-28 | Release date: | 2014-10-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.59 Å) | Cite: | Human Insulin Analogues Modified at the B26 Site Reveal a Hormone Conformation that is Undetected in the Receptor Complex Acta Crystallogr.,Sect.D, 70, 2014
|
|
4UBG
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ubg by Molmil](/molmil-images/mine/4ubg) | Resting state of rat cysteine dioxygenase C93G variant | Descriptor: | Cysteine dioxygenase type 1, FE (II) ION, SODIUM ION | Authors: | Fellner, M, Tchesnokov, E.P, Jameson, G.N, Wilbanks, S.M. | Deposit date: | 2014-08-13 | Release date: | 2014-11-26 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The Cys-Tyr Cross-Link of Cysteine Dioxygenase Changes the Optimal pH of the Reaction without a Structural Change. Biochemistry, 53, 2014
|
|
4UFL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufl by Molmil](/molmil-images/mine/4ufl) | Mouse Galactocerebrosidase complexed with deoxy-galacto-noeurostegine DGN | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UD8
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ud8 by Molmil](/molmil-images/mine/4ud8) | AtBBE15 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, ... | Authors: | Daniel, B, Steiner, B, Pavkov-Keller, T, Dordic, A, Gutmann, A, Sensen, C.W, Nidetzky, B, van der Graaff, E, Wallner, S, Gruber, K, Macheroux, P. | Deposit date: | 2014-12-09 | Release date: | 2015-06-10 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.088 Å) | Cite: | Oxidation of Monolignols by Members of the Berberine Bridge Enzyme Family Suggests a Role in Cell Wall Metabolism. J.Biol.Chem., 290, 2015
|
|
4UHV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uhv by Molmil](/molmil-images/mine/4uhv) | The structure of VgrG1, the needle tip of the bacterial Type VI Secretion System | Descriptor: | CHLORIDE ION, SODIUM ION, VGRG1, ... | Authors: | Spinola-Amilibia, M, Davo-Siguero, I, Ruiz, F.M, Santillana, E, Medrano, F.J, Romero, A. | Deposit date: | 2015-03-25 | Release date: | 2016-01-27 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | The Structure of Vgrg1 from Pseudomonas Aeruginosa, the Needle Tip of the Bacterial Type Vi Secretion System Acta Crystallogr.,Sect.D, 72, 2016
|
|
4UJD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ujd by Molmil](/molmil-images/mine/4ujd) | mammalian 80S HCV-IRES initiation complex with eIF5B PRE-like state | Descriptor: | 18S Ribosomal RNA, 28S Ribosomal RNA, 40S RIBOSOMAL PROTEIN ES1, ... | Authors: | Yamamoto, H, Unbehaun, A, Loerke, J, Behrmann, E, Marianne, C, Burger, J, Mielke, T, Spahn, C.M.T. | Deposit date: | 2014-06-18 | Release date: | 2014-07-30 | Last modified: | 2019-12-18 | Method: | ELECTRON MICROSCOPY (8.9 Å) | Cite: | Structure of the Mammalian 80S Initiation Complex with Eif5B on Hcv Ires Nat.Struct.Mol.Biol., 21, 2014
|
|
4UAB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uab by Molmil](/molmil-images/mine/4uab) | Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter salexigens DSM 3043 (Csal_0678), Target EFI-501078, with bound ethanolamine | Descriptor: | CHLORIDE ION, ETHANOLAMINE, Twin-arginine translocation pathway signal | Authors: | Vetting, M.W, Al Obaidi, N.F, Morisco, L.L, Wasserman, S.R, Sojitra, S, Stead, M, Attonito, J.D, Scott Glenn, A, Chowdhury, S, Evans, B, Hillerich, B, Love, J, Seidel, R.D, Imker, H.J, Gerlt, J.A, Almo, S.C, Enzyme Function Initiative (EFI) | Deposit date: | 2014-08-08 | Release date: | 2014-09-03 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Experimental strategies for functional annotation and metabolism discovery: targeted screening of solute binding proteins and unbiased panning of metabolomes. Biochemistry, 54, 2015
|
|
6KQ9
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6kq9 by Molmil](/molmil-images/mine/6kq9) | A long chain secondary alcohol dehydrogenase of Micrococcus luteus | Descriptor: | 3-hydroxybutyryl-CoA dehydrogenase | Authors: | Kim, H.J, Kim, J.S. | Deposit date: | 2019-08-16 | Release date: | 2020-08-19 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.251 Å) | Cite: | Cofactor specificity engineering of a long-chain secondary alcohol dehydrogenase from Micrococcus luteus for redox-neutral biotransformation of fatty acids. Chem.Commun.(Camb.), 55, 2019
|
|
4UDW
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4udw by Molmil](/molmil-images/mine/4udw) | Thrombin in complex with 1-(2R)-2-amino-3-phenyl-propanoyl-N-(2, 5dichlorophenyl)methylpyrrolidine-2-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, D-phenylalanyl-N-(2,5-dichlorobenzyl)-L-prolinamide, GLYCEROL, ... | Authors: | Ruehmann, E, Heine, A, Klebe, G. | Deposit date: | 2014-12-12 | Release date: | 2015-08-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.16 Å) | Cite: | Fragments Can Bind Either More Enthalpy or Entropy-Driven: Crystal Structures and Residual Hydration Pattern Suggest Why. J.Med.Chem., 58, 2015
|
|
4UHZ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uhz by Molmil](/molmil-images/mine/4uhz) | Crystal structure of the human RGMB-BMP2 complex, crystal form 1 | Descriptor: | BONE MORPHOGENETIC PROTEIN 2, RGM DOMAIN FAMILY MEMBER B, SULFATE ION | Authors: | Healey, E.G, Bishop, B, Elegheert, J, Bell, C.H, Padilla-Parra, S, Siebold, C. | Deposit date: | 2015-03-27 | Release date: | 2015-05-06 | Last modified: | 2015-06-17 | Method: | X-RAY DIFFRACTION (2.85 Å) | Cite: | Repulsive Guidance Molecule is a Structural Bridge between Neogenin and Bone Morphogenetic Protein. Nat.Struct.Mol.Biol., 22, 2015
|
|
4UFJ
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufj by Molmil](/molmil-images/mine/4ufj) | Mouse Galactocerebrosidase complexed with iso-galacto-fagomine lactam IGL | Descriptor: | (3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)piperidin-2-one, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-03-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UPD
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4upd by Molmil](/molmil-images/mine/4upd) | Open conformation of O. piceae sterol esterase mutant I544W | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, STEROL ESTERASE, TRIETHYLENE GLYCOL, ... | Authors: | Gutierrez-Fernandez, J, Vaquero, M.E, Prieto, A, Barriuso, J, Gonzalez, M.J, Hermoso, J.A. | Deposit date: | 2014-06-16 | Release date: | 2014-09-24 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structures of Ophiostoma Piceae Sterol Esterase: Structural Insights Into Activation Mechanism and Product Release. J.Struct.Biol., 187, 2014
|
|
4UIE
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uie by Molmil](/molmil-images/mine/4uie) | Crystal structure of the S-layer protein SbsC, domains 7, 8 and 9 | Descriptor: | CALCIUM ION, OSMIUM ION, SURFACE LAYER PROTEIN | Authors: | Pavkov-Keller, T, Dordic, A, Egelseer, E.M, Sleytr, U.B, Keller, W. | Deposit date: | 2015-03-27 | Release date: | 2016-04-13 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal Structure of the S-Layer Protein Sbsc To be Published
|
|
4UFM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4ufm by Molmil](/molmil-images/mine/4ufm) | Mouse Galactocerebrosidase complexed with 1-deoxy-galacto-nojirimycin DGJ | Descriptor: | (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Hill, C.H, Viuff, A.H, Spratley, S.J, Salamone, S, Christensen, S.H, Read, R.J, Moriarty, N.W, Jensen, H.H, Deane, J.E. | Deposit date: | 2015-03-17 | Release date: | 2015-04-01 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Azasugar Inhibitors as Pharmacological Chaperones for Krabbe Disease. Chem.Sci., 6, 2015
|
|
4UHH
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uhh by Molmil](/molmil-images/mine/4uhh) | Structural studies of a thermophilic esterase from Thermogutta terrifontis (cacodylate complex) | Descriptor: | CACODYLIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Sayer, C, Isupov, M.N, Bonch-Osmolovskaya, E, Littlechild, J.A. | Deposit date: | 2015-03-24 | Release date: | 2015-06-10 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Structural Studies of a Thermophilic Esterase from a New Planctomycetes Species, Thermogutta Terrifontis. FEBS J., 282, 2015
|
|
4UJ5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 4uj5 by Molmil](/molmil-images/mine/4uj5) | Crystal structure of human Rab11-Rabin8-FIP3 | Descriptor: | MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, RAB-3A-INTERACTING PROTEIN, ... | Authors: | Vetter, M, Lorentzen, E. | Deposit date: | 2015-04-08 | Release date: | 2015-08-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.604 Å) | Cite: | Structure of Rab11-Fip3-Rabin8 Reveals Simultaneous Binding of Fip3 and Rabin8 Effectors to Rab11. Nat.Struct.Mol.Biol., 22, 2015
|
|