6NWN
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![BU of 6nwn by Molmil](/molmil-images/mine/6nwn) | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 | Descriptor: | 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine, ATP-dependent dethiobiotin synthetase BioD, CITRIC ACID | Authors: | Thompson, A.P, Polyak, S.W, Wegener, K.L, Bruning, J.B. | Deposit date: | 2019-02-06 | Release date: | 2020-02-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.005 Å) | Cite: | Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with glutamic acid linked compound 10 To Be Published
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4JZZ
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4WOE
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![BU of 4woe by Molmil](/molmil-images/mine/4woe) | The duplicated taurocyamine kinase from Schistosoma mansoni with bound transition state analog (TSA) components | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, NITRATE ION, ... | Authors: | Merceron, R, Awama, A, Montserret, R, Marcillat, O, Gouet, P. | Deposit date: | 2014-10-15 | Release date: | 2015-04-15 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The Substrate-free and -bound Crystal Structures of the Duplicated Taurocyamine Kinase from the Human Parasite Schistosoma mansoni. J.Biol.Chem., 290, 2015
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3PRK
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![BU of 3prk by Molmil](/molmil-images/mine/3prk) | INHIBITION OF PROTEINASE K BY METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE. AN X-RAY STUDY AT 2.2-ANGSTROMS RESOLUTION | Descriptor: | CALCIUM ION, METHOXYSUCCINYL-ALA-ALA-PRO-ALA-CHLOROMETHYL KETONE, PROTEINASE K | Authors: | Wolf, W.M, Bajorath, J, Mueller, A, Raghunathan, S, Singh, T.P, Hinrichs, W, Saenger, W. | Deposit date: | 1991-08-07 | Release date: | 1994-01-31 | Last modified: | 2017-11-29 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Inhibition of proteinase K by methoxysuccinyl-Ala-Ala-Pro-Ala-chloromethyl ketone. An x-ray study at 2.2-A resolution. J.Biol.Chem., 266, 1991
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8Q3R
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![BU of 8q3r by Molmil](/molmil-images/mine/8q3r) | Cryo-EM structure of the DNA polymerase holoenzyme E9-A20-D4 of vaccinia virus | Descriptor: | DNA polymerase, DNA polymerase processivity factor component OPG148, Uracil-DNA glycosylase | Authors: | Burmeister, W.P, Ballandras-Colas, A, Boettcher, B, Grimm, C. | Deposit date: | 2023-08-04 | Release date: | 2024-05-08 | Last modified: | 2024-06-05 | Method: | ELECTRON MICROSCOPY (3.8 Å) | Cite: | Structure and flexibility of the DNA polymerase holoenzyme of vaccinia virus. Plos Pathog., 20, 2024
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3PYH
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![BU of 3pyh by Molmil](/molmil-images/mine/3pyh) | Bovine trypsin variant X(tripleGlu217Ile227) in complex with small molecule inhibitor | Descriptor: | 3-(3-carbamimidoylphenyl)-N-(2'-sulfamoylbiphenyl-4-yl)-1,2-oxazole-4-carboxamide, CALCIUM ION, CHLORIDE ION, ... | Authors: | Tziridis, A, Neumann, P, Kolenko, P, Stubbs, M.T. | Deposit date: | 2010-12-13 | Release date: | 2011-12-21 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Correlating structure and ligand affinity in drug discovery: a cautionary tale involving second shell residues. Biol.Chem., 395, 2014
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2VTY
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![BU of 2vty by Molmil](/molmil-images/mine/2vty) | Vaccinia virus anti-apoptotic F1L is a novel Bcl-2-like domain swapped dimer | Descriptor: | PROTEIN F1 | Authors: | Kvansakul, M, Yang, H, Fairlie, W.D, Czabotar, P.E, Fischer, S.F, Perugini, M.A, Huang, D.C.S, Colman, P.M. | Deposit date: | 2008-05-19 | Release date: | 2008-06-24 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Vaccinia Virus Anti-Apoptotic F1L is a Novel Bcl-2-Like Domain-Swapped Dimer that Binds a Highly Selective Subset of Bh3-Containing Death Ligands. Cell Death Differ., 15, 2008
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7YG8
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![BU of 7yg8 by Molmil](/molmil-images/mine/7yg8) | Cryo-EM structure of Tetrahymena ribozyme conformation 5 undergoing the second-step self-splicing | Descriptor: | MAGNESIUM ION, RNA (387-MER), RNA (5'-R(*CP*CP*CP*UP*C)-3'), ... | Authors: | Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K. | Deposit date: | 2022-07-11 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (2.97 Å) | Cite: | Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM. Nat Commun, 14, 2023
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6J4E
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![BU of 6j4e by Molmil](/molmil-images/mine/6j4e) | Crystal structure of the AtWRKY1 domain | Descriptor: | DNA (5'-D(*AP*GP*CP*CP*TP*TP*TP*GP*AP*CP*CP*AP*GP*CP*G)-3'), DNA (5'-D(*TP*CP*GP*CP*TP*GP*GP*TP*CP*AP*AP*AP*GP*GP*C)-3'), WRKY transcription factor 1, ... | Authors: | Xu, Y.P, Xu, H, Wang, B, Su, X.D. | Deposit date: | 2019-01-08 | Release date: | 2020-01-15 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (3.126 Å) | Cite: | Crystal structure of the AtWRKY1 domain To Be Published
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3GEN
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![BU of 3gen by Molmil](/molmil-images/mine/3gen) | The 1.6 A crystal structure of human bruton's tyrosine kinase bound to a pyrrolopyrimidine-containing compound | Descriptor: | 4-Amino-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl-cyclopentane, Tyrosine-protein kinase BTK | Authors: | Marcotte, D.J, Liu, Y.T, Arduini, R.M, Hession, C.A, Miatkowski, K, Wildes, C.P, Cullen, P.F, Hopkins, B, Mertsching, E, Jenkins, T.J, Romanowski, M.J, Baker, D.P, Silvian, L.F. | Deposit date: | 2009-02-25 | Release date: | 2010-01-19 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structures of human Bruton's tyrosine kinase in active and inactive conformations suggest a mechanism of activation for TEC family kinases. Protein Sci., 19, 2010
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7RMU
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1QFV
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![BU of 1qfv by Molmil](/molmil-images/mine/1qfv) | HISTAMINE BINDING PROTEIN FROM FEMALE BROWN EAR RHIPICEPHALUS APPENDICULATUS | Descriptor: | HISTAMINE, PROTEIN (FEMALE-SPECIFIC HISTAMINE BINDING PROTEIN 2) | Authors: | Paesen, G.C, Adams, P.L, Harlos, K, Nuttal, P.A, Stuart, D.I. | Deposit date: | 1999-04-14 | Release date: | 2000-04-19 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.36 Å) | Cite: | Tick histamine-binding proteins: isolation, cloning, and three-dimensional structure. Mol.Cell, 3, 1999
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7R7G
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3L27
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![BU of 3l27 by Molmil](/molmil-images/mine/3l27) | Crystal structure of Zaire Ebola VP35 interferon inhibitory domain R312A mutant | Descriptor: | CHLORIDE ION, GLYCEROL, PHOSPHATE ION, ... | Authors: | Leung, D.W, Prins, K.C, Borek, D.M, Farahbakhsh, M, Tufariello, J.M, Ramanan, P, Nix, J.C, Helgeson, L.A, Otwinowski, Z, Honzatko, R.B, Basler, C.F, Amarasinghe, G.K. | Deposit date: | 2009-12-14 | Release date: | 2010-01-26 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structural basis for dsRNA recognition and interferon antagonism by Ebola VP35. Nat.Struct.Mol.Biol., 17, 2010
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7AYN
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![BU of 7ayn by Molmil](/molmil-images/mine/7ayn) | Crystal structure of the lectin domain of the FimH variant Arg98Ala, in complex with Methyl 3-chloro-4-D-mannopyranosyloxy-3-biphenylcarboxylate | Descriptor: | 1,2-ETHANEDIOL, Type 1 fimbrin D-mannose specific adhesin, methyl 3-[3-chloranyl-4-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-phenyl]benzoate | Authors: | Jakob, R.P, Tomasic, T, Rabbani, S, Reisner, A, Jakopin, Z, Maier, T, Ernst, B, Anderluh, M. | Deposit date: | 2020-11-12 | Release date: | 2020-12-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.42 Å) | Cite: | Does targeting Arg98 of FimH lead to high affinity antagonists? Eur.J.Med.Chem., 211, 2020
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7R7F
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7YGD
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![BU of 7ygd by Molmil](/molmil-images/mine/7ygd) | Cryo-EM structure of Tetrahymena ribozyme conformation 6 undergoing the second-step self-splicing | Descriptor: | MAGNESIUM ION, RNA (384-MER), RNA (5'-R(*CP*C)-3'), ... | Authors: | Li, S, Michael, Z.P, Zhang, X, Greg, P, Zhang, K. | Deposit date: | 2022-07-11 | Release date: | 2023-03-29 | Last modified: | 2024-07-03 | Method: | ELECTRON MICROSCOPY (3.41 Å) | Cite: | Snapshots of the second-step self-splicing of Tetrahymena ribozyme revealed by cryo-EM. Nat Commun, 14, 2023
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4WYJ
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![BU of 4wyj by Molmil](/molmil-images/mine/4wyj) | Adenovirus 3 head domain mutant V239D | Descriptor: | Fiber protein, SULFATE ION | Authors: | Lieber, A, Zubieta, C, Fender, P. | Deposit date: | 2014-11-17 | Release date: | 2015-07-01 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Preclinical safety and efficacy studies with an affinity-enhanced epithelial junction opener and PEGylated liposomal doxorubicin. Mol Ther Methods Clin Dev, 2, 2015
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5ZH4
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![BU of 5zh4 by Molmil](/molmil-images/mine/5zh4) | CRYSTAL STRUCTURE OF PfKRS WITH INHIBITOR CLADO-7 | Descriptor: | (3R)-6,8-dihydroxy-3-{[(2S,6R)-6-methyloxan-2-yl]methyl}-3,4-dihydro-1H-2-benzopyran-1-one, CHLORIDE ION, LYSINE, ... | Authors: | Babbar, P, Malhotra, N, Sharma, M, Harlos, K, Reddy, D.S, Manickam, Y, Sharma, A. | Deposit date: | 2018-03-11 | Release date: | 2018-06-27 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Specific Stereoisomeric Conformations Determine the Drug Potency of Cladosporin Scaffold against Malarial Parasite J. Med. Chem., 61, 2018
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4WSW
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![BU of 4wsw by Molmil](/molmil-images/mine/4wsw) | The crystal structure of hemagglutinin from A/green-winged teal/Texas/Y171/2006 influenza virus | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, Hemagglutinin HA2 chain | Authors: | Yang, H, Carney, P.J, Chang, J.C, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-10-28 | Release date: | 2015-02-25 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure and receptor binding preferences of recombinant hemagglutinins from avian and human h6 and h10 influenza a virus subtypes. J.Virol., 89, 2015
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7R7E
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2WIM
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![BU of 2wim by Molmil](/molmil-images/mine/2wim) | Crystal structure of NCAM2 IG1-3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAL CELL ADHESION MOLECULE 2 | Authors: | Kulahin, N, Kristensen, O, Rasmussen, K, Kastrup, J, Berezin, V, Bock, E, Walmod, P, Gajhede, M. | Deposit date: | 2009-05-13 | Release date: | 2010-08-25 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural model and trans-interaction of the entire ectodomain of the olfactory cell adhesion molecule. Structure, 19, 2011
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7R36
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![BU of 7r36 by Molmil](/molmil-images/mine/7r36) | Difference-refined structure of fatty acid photodecarboxylase 2 microsecond following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7R33
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![BU of 7r33 by Molmil](/molmil-images/mine/7r33) | Difference-refined structure of fatty acid photodecarboxylase 20 ps following 400-nm laser irradiation of the dark-state determined by SFX | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, Fatty acid photodecarboxylase, chloroplastic, ... | Authors: | Hadjidemetriou, K, Coquelle, N, Barends, T.R.M, De Zitter, E, Schlichting, I, Colletier, J.P, Weik, M. | Deposit date: | 2022-02-06 | Release date: | 2022-09-14 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Time-resolved serial femtosecond crystallography on fatty-acid photodecarboxylase: lessons learned. Acta Crystallogr D Struct Biol, 78, 2022
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7AQ0
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![BU of 7aq0 by Molmil](/molmil-images/mine/7aq0) | Pseudomonas stutzeri nitrous oxide reductase mutant, D576A/S550A | Descriptor: | (MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ... | Authors: | Zhang, L, Bill, E, Kroneck, P.M.H, Einsle, O. | Deposit date: | 2020-10-20 | Release date: | 2021-01-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.584 Å) | Cite: | Histidine-Gated Proton-Coupled Electron Transfer to the Cu A Site of Nitrous Oxide Reductase. J.Am.Chem.Soc., 143, 2021
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