5IJD
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![BU of 5ijd by Molmil](/molmil-images/mine/5ijd) | The crystal structure of mouse TLR4/MD-2/lipid A complex | Descriptor: | (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Wang, Y, Su, L, Morin, M.D, Jones, B.T, Whitby, L.R, Surakattula, M, Huang, H, Shi, H, Choi, J.H, Wang, K, Moresco, E.M, Berger, M, Zhan, X, Zhang, H, Boger, D.L, Beutler, B. | Deposit date: | 2016-03-01 | Release date: | 2016-04-27 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | TLR4/MD-2 activation by a synthetic agonist with no similarity to LPS. Proc.Natl.Acad.Sci.USA, 113, 2016
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1KI7
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![BU of 1ki7 by Molmil](/molmil-images/mine/1ki7) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH 5-IODODEOXYURIDINE | Descriptor: | 5-IODODEOXYURIDINE, SULFATE ION, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Visse, R, Summers, W.C, Sanderson, M.R. | Deposit date: | 1998-05-15 | Release date: | 1998-12-02 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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1RM6
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![BU of 1rm6 by Molmil](/molmil-images/mine/1rm6) | Structure of 4-hydroxybenzoyl-CoA reductase from Thauera aromatica | Descriptor: | (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V), 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-hydroxybenzoyl-CoA reductase alpha subunit, ... | Authors: | Unciuleac, M, Warkentin, E, Page, C.C, Dutton, P.L, Boll, M, Ermler, U. | Deposit date: | 2003-11-27 | Release date: | 2004-12-21 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structure of a Xanthine Oxidase-Related 4-Hydroxybenzoyl-CoA Reductase with an Additional [4Fe-4S] Cluster and an Inverted Electron Flow Structure, 12, 2004
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5IJT
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1KIM
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![BU of 1kim by Molmil](/molmil-images/mine/1kim) | CRYSTAL STRUCTURE OF THYMIDINE KINASE FROM HERPES SIMPLEX VIRUS TYPE I COMPLEXED WITH DEOXYTHYMIDINE | Descriptor: | SULFATE ION, THYMIDINE, THYMIDINE KINASE | Authors: | Champness, J.N, Bennett, M.S, Wien, F, Brown, D.G, Visse, R, Sandhu, G, Davies, A, Rizkallah, P.J, Melitz, C, Summers, W.C, Sanderson, M.R. | Deposit date: | 1997-11-12 | Release date: | 1998-05-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Exploring the active site of herpes simplex virus type-1 thymidine kinase by X-ray crystallography of complexes with aciclovir and other ligands. Proteins, 32, 1998
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5IG9
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![BU of 5ig9 by Molmil](/molmil-images/mine/5ig9) | |
1RPL
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![BU of 1rpl by Molmil](/molmil-images/mine/1rpl) | |
1KWJ
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![BU of 1kwj by Molmil](/molmil-images/mine/1kwj) | solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans, minimized average structure | Descriptor: | HEME C, cytochrome c7 | Authors: | Assfalg, M, Bertini, I, Turano, P, Bruschi, M, Durand, M.C, Giudici-Orticoni, M.T, Dolla, A. | Deposit date: | 2002-01-29 | Release date: | 2002-02-06 | Last modified: | 2021-10-27 | Method: | SOLUTION NMR | Cite: | A quick solution structure determination of the fully oxidized double mutant K9-10A cytochrome c7 from Desulfuromonas acetoxidans and mechanistic implications. J.Biomol.NMR, 22, 2002
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5IK1
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1RDM
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![BU of 1rdm by Molmil](/molmil-images/mine/1rdm) | MANNOSE-BINDING PROTEIN, SUBTILISIN DIGEST FRAGMENT COMPLEX WITH ALPHA-METHYL-D-MANNOPYRANOSIDE (1.3 M) | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-C, ... | Authors: | Ng, K.K.-S, Drickamer, K, Weis, W.I. | Deposit date: | 1995-09-05 | Release date: | 1996-03-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural analysis of monosaccharide recognition by rat liver mannose-binding protein. J.Biol.Chem., 271, 1996
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1RDI
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![BU of 1rdi by Molmil](/molmil-images/mine/1rdi) | MANNOSE-BINDING PROTEIN, SUBTILISIN DIGEST FRAGMENT COMPLEX WITH ALPHA-METHYL-L-FUCOPYRANOSIDE | Descriptor: | CALCIUM ION, CHLORIDE ION, MANNOSE-BINDING PROTEIN-C, ... | Authors: | Ng, K.K.-S, Drickamer, K, Weis, W.I. | Deposit date: | 1995-09-05 | Release date: | 1996-03-08 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural analysis of monosaccharide recognition by rat liver mannose-binding protein. J.Biol.Chem., 271, 1996
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1KQY
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![BU of 1kqy by Molmil](/molmil-images/mine/1kqy) | Hevamine Mutant D125A/E127A/Y183F in Complex with Penta-NAG | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hevamine A, ... | Authors: | Rozeboom, H.J, Dijkstra, B.W. | Deposit date: | 2002-01-08 | Release date: | 2002-01-23 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Expression and characterization of active site mutants of hevamine, a chitinase from the rubber tree Hevea brasiliensis. Eur.J.Biochem., 269, 2002
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5IP0
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![BU of 5ip0 by Molmil](/molmil-images/mine/5ip0) | PHA Binding Protein PhaP (Phasin) | Descriptor: | CADMIUM ION, PHA granule-associated protein | Authors: | Chen, G.Q, Wang, X.Q, Zhao, H.Y. | Deposit date: | 2016-03-09 | Release date: | 2017-01-25 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural Insights on PHA Binding Protein PhaP from Aeromonas hydrophila Sci Rep, 6, 2016
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5ISL
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![BU of 5isl by Molmil](/molmil-images/mine/5isl) | |
1RIQ
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![BU of 1riq by Molmil](/molmil-images/mine/1riq) | The crystal structure of the catalytic fragment of the alanyl-tRNA synthetase | Descriptor: | Alanyl-tRNA synthetase | Authors: | Swairjo, M.A, Otero, F.J, Yang, X.-L, Lovato, M.A, Skene, R.J, McRee, D.E, Ribas de Pouplana, L, Schimmel, P. | Deposit date: | 2003-11-17 | Release date: | 2004-04-06 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Alanyl-tRNA Synthetase Crystal Structure and Design for Acceptor-Stem Recognition Mol.Cell, 13, 2004
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1RN4
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1RND
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![BU of 1rnd by Molmil](/molmil-images/mine/1rnd) | NEWLY OBSERVED BINDING MODE IN PANCREATIC RIBONUCLEASE | Descriptor: | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE, RIBONUCLEASE A, SULFATE ION | Authors: | Aguilar, C.F, Thomas, P.J, Mills, A, Moss, D.S, Palmer, R.A. | Deposit date: | 1991-10-21 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Newly observed binding mode in pancreatic ribonuclease. J.Mol.Biol., 224, 1992
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5IRC
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![BU of 5irc by Molmil](/molmil-images/mine/5irc) | p190A GAP domain complex with RhoA | Descriptor: | CHLORIDE ION, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Derewenda, U, Derewenda, Z. | Deposit date: | 2016-03-12 | Release date: | 2016-08-17 | Last modified: | 2019-12-25 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Deciphering the Molecular and Functional Basis of RHOGAP Family Proteins: A SYSTEMATIC APPROACH TOWARD SELECTIVE INACTIVATION OF RHO FAMILY PROTEINS. J.Biol.Chem., 291, 2016
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5ISP
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![BU of 5isp by Molmil](/molmil-images/mine/5isp) | Staphylococcus aureus F98Y Dihydrofolate Reductase mutant complexed with beta-NADPH and 3'-(3-(2,4-diamino-6-ethylpyrimidin-5-yl)prop-2-yn-1-yl)-4'-methoxy-[1,1'-biphenyl]-4-carboxylic acid (UCP1106) | Descriptor: | 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-4-methoxy-phenyl]benzoic acid, Dihydrofolate reductase, GLYCEROL, ... | Authors: | Anderson, A.C, Reeve, S.M. | Deposit date: | 2016-03-15 | Release date: | 2017-06-28 | Last modified: | 2024-03-06 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Charged Propargyl-Linked Antifolates Reveal Mechanisms of Antifolate Resistance and Inhibit Trimethoprim-Resistant MRSA Strains Possessing Clinically Relevant Mutations. J. Med. Chem., 59, 2016
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5K7W
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1LK3
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![BU of 1lk3 by Molmil](/molmil-images/mine/1lk3) | ENGINEERED HUMAN INTERLEUKIN-10 MONOMER COMPLEXED TO 9D7 FAB FRAGMENT | Descriptor: | 9D7 Heavy Chain, 9D7 Light Chain, Interleukin-10 | Authors: | Josephson, K, Jones, B.C, Walter, L.J, DiGiacomo, R, Indelicato, S.R, Walter, M.R. | Deposit date: | 2002-04-23 | Release date: | 2002-07-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Noncompetitive antibody neutralization of IL-10 revealed by protein engineering and x-ray crystallography. Structure, 10, 2002
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5JXG
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![BU of 5jxg by Molmil](/molmil-images/mine/5jxg) | Structure of the unliganded form of the proprotein convertase furin. | Descriptor: | CALCIUM ION, CHLORIDE ION, Furin, ... | Authors: | Dahms, S.O, Arciniega, M, Steinmetzer, T, Huber, R, Than, M.E. | Deposit date: | 2016-05-13 | Release date: | 2016-10-05 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure of the unliganded form of the proprotein convertase furin suggests activation by a substrate-induced mechanism. Proc.Natl.Acad.Sci.USA, 113, 2016
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1LL4
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![BU of 1ll4 by Molmil](/molmil-images/mine/1ll4) | STRUCTURE OF C. IMMITIS CHITINASE 1 COMPLEXED WITH ALLOSAMIDIN | Descriptor: | 2-acetamido-2-deoxy-beta-D-allopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-allopyranose, ALLOSAMIZOLINE, CHITINASE 1 | Authors: | Bortone, K, Monzingo, A.F, Ernst, S, Robertus, J.D. | Deposit date: | 2002-04-26 | Release date: | 2002-09-25 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | THE STRUCTURE OF AN ALLOSAMIDIN COMPLEX WITH THE Coccidioides IMMITIS CHITINASE DEFINES A ROLE FOR A SECOND ACID RESIDUE IN SUBSTRATE-ASSISTED MECHANISM J.Mol.Biol., 320, 2002
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5JZQ
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5JZY
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![BU of 5jzy by Molmil](/molmil-images/mine/5jzy) | Thrombin in complex with (S)-1-((R)-2-amino-3-cyclohexylpropanoyl)-N-(4-carbamimidoylbenzyl)pyrrolidine-2-carboxamide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-cyclohexyl-D-alanyl-N-[(4-carbamimidoylphenyl)methyl]-L-prolinamide, DIMETHYL SULFOXIDE, ... | Authors: | Sandner, A, Heine, A, Klebe, G. | Deposit date: | 2016-05-17 | Release date: | 2017-06-07 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.27 Å) | Cite: | Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding. J.Med.Chem., 62, 2019
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