2IPS
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![BU of 2ips by Molmil](/molmil-images/mine/2ips) | Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-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: | Singh, A.K, Singh, N, Sharma, S, Singh, T.P. | Deposit date: | 2006-10-12 | Release date: | 2006-10-24 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (3.1 Å) | Cite: | Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution To be Published
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3N8E
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![BU of 3n8e by Molmil](/molmil-images/mine/3n8e) | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin) | Descriptor: | Stress-70 protein, mitochondrial | Authors: | Wisniewska, M, Karlberg, T, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, I, Kotenyova, T, Moche, M, Nordlund, P, Nyman, T, Persson, C, Schutz, P, Siponen, M.I, Svensson, L, Thorsell, A.G, Tresaugues, L, van der Berg, S, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | Deposit date: | 2010-05-28 | Release date: | 2010-06-16 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Substrate binding domain of the human Heat Shock 70kDa protein 9 (mortalin) To be published
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4WEA
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![BU of 4wea by Molmil](/molmil-images/mine/4wea) | Structure and receptor binding prefereneces of recombinant human A(H3N2) virus hemagglutinins | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ... | Authors: | Yang, H, Carney, P.J, Chang, J.C, Guo, Z, Villanueva, J.M, Stevens, J. | Deposit date: | 2014-09-09 | Release date: | 2015-02-11 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structure and receptor binding preferences of recombinant human A(H3N2) virus hemagglutinins. Virology, 477C, 2015
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8CLY
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![BU of 8cly by Molmil](/molmil-images/mine/8cly) | Crystal structure of Rhizobium etli constitutive L-asparaginase ReAIV (tetragonal form R4tP) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Putative L-asparaginase II protein, ... | Authors: | Loch, J.I, Worsztynowicz, P, Sliwiak, J, Imiolczyk, B, Grzechowiak, M, Gilski, M, Jaskolski, M. | Deposit date: | 2023-02-17 | Release date: | 2023-08-09 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.503 Å) | Cite: | Rhizobium etli has two L-asparaginases with low sequence identity but similar structure and catalytic center. Acta Crystallogr D Struct Biol, 79, 2023
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8CHI
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![BU of 8chi by Molmil](/molmil-images/mine/8chi) | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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4D41
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![BU of 4d41 by Molmil](/molmil-images/mine/4d41) | Crystal structure of S. aureus FabI in complex with NADP and 5-hexyl- 2-(4-nitrophenoxy)phenol | Descriptor: | (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, 5-HEXYL-2-(4-NITROPHENOXY)PHENOL, ... | Authors: | Schiebel, J, Chang, A, Tonge, P.J, Sotriffer, C.A, Kisker, C. | Deposit date: | 2014-10-26 | Release date: | 2015-03-04 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | An Ordered Water Channel in Staphylococcus Aureus Fabi: Unraveling the Mechanism of Substrate Recognition and Reduction. Biochemistry, 54, 2015
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8CNT
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![BU of 8cnt by Molmil](/molmil-images/mine/8cnt) | Structure of the DEAH-box helicase Prp16 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, HEXAETHYLENE GLYCOL, MAGNESIUM ION, ... | Authors: | Garbers, T.B, Neumann, P, Ficner, R. | Deposit date: | 2023-02-24 | Release date: | 2023-08-23 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Crystal structure of Prp16 in complex with ADP. Acta Crystallogr.,Sect.F, 79, 2023
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8CHP
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![BU of 8chp by Molmil](/molmil-images/mine/8chp) | The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHR
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![BU of 8chr by Molmil](/molmil-images/mine/8chr) | The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.1 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHN
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![BU of 8chn by Molmil](/molmil-images/mine/8chn) | The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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2ISA
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![BU of 2isa by Molmil](/molmil-images/mine/2isa) | Crystal Structure of Vibrio salmonicida catalase | Descriptor: | CHLORIDE ION, Catalase, GLYCEROL, ... | Authors: | Riise, E.K, Lorentzen, M.S, Helland, R, Smalas, A.O, Leiros, H.K.S, Willassen, N.P. | Deposit date: | 2006-10-17 | Release date: | 2007-01-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.97 Å) | Cite: | The first structure of a cold-active catalase from Vibrio salmonicida at 1.96A reveals structural aspects of cold adaptation ACTA CRYSTALLOGR.,SECT.D, 63, 2007
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6TQH
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![BU of 6tqh by Molmil](/molmil-images/mine/6tqh) | Escherichia coli AdhE structure in its extended conformation | Descriptor: | Aldehyde-alcohol dehydrogenase, FE (III) ION, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | Authors: | Fronzes, R, Pony, P. | Deposit date: | 2019-12-16 | Release date: | 2020-06-03 | Last modified: | 2024-05-22 | Method: | ELECTRON MICROSCOPY (3.4 Å) | Cite: | Filamentation of the bacterial bi-functional alcohol/aldehyde dehydrogenase AdhE is essential for substrate channeling and enzymatic regulation. Nat Commun, 11, 2020
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6TI1
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![BU of 6ti1 by Molmil](/molmil-images/mine/6ti1) | SHMT from Streptococcus thermophilus Tyr55Ser variant in complex with PLP/L-Threonine/Lys230 gem diamine complex | Descriptor: | GLYCEROL, N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine, SODIUM ION, ... | Authors: | Petrillo, G, Hernandez, K, Bujons, J, Clapes, P, Uson, I. | Deposit date: | 2019-11-21 | Release date: | 2020-04-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural insights into nucleophile substrate specificity in variants of N-Serine hydroxymethyltransferase from Streptococcus thermophilus To Be Published
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8CHK
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![BU of 8chk by Molmil](/molmil-images/mine/8chk) | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Peptidyl-prolyl cis-trans isomerase FKBP1A | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHQ
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![BU of 8chq by Molmil](/molmil-images/mine/8chq) | The FK1 domain of FKBP51 in complex with (1S,5S,6R)-10-((S)-3,5-dichloro-N-methylphenylsulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[S-[3,5-bis(chloranyl)phenyl]-N-methyl-sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.01 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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6TSX
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![BU of 6tsx by Molmil](/molmil-images/mine/6tsx) | Crystal structure of horse L ferritin (HoLf) Fe(III)-loaded for 30 minutes | Descriptor: | CADMIUM ION, CHLORIDE ION, FE (III) ION, ... | Authors: | Pozzi, C, Ciambellotti, S, Turano, P, Mangani, S. | Deposit date: | 2019-12-21 | Release date: | 2020-02-19 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.021 Å) | Cite: | Iron Biomineral Growth from the Initial Nucleation Seed in L-Ferritin. Chemistry, 26, 2020
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2IF9
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![BU of 2if9 by Molmil](/molmil-images/mine/2if9) | |
6TUB
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![BU of 6tub by Molmil](/molmil-images/mine/6tub) | Beta-endorphin amyloid fibril | Descriptor: | Beta-endorphin | Authors: | Verasdonck, J, Seuring, C, Gath, J, Ghosh, D, Nespovitaya, N, Waelti, M.A, Maji, S, Cadalbert, R, Boeckmann, A, Guentert, P, Meier, B.H, Riek, R. | Deposit date: | 2020-01-05 | Release date: | 2020-10-28 | Last modified: | 2024-05-15 | Method: | SOLID-STATE NMR | Cite: | The three-dimensional structure of human beta-endorphin amyloid fibrils. Nat.Struct.Mol.Biol., 27, 2020
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8CHM
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![BU of 8chm by Molmil](/molmil-images/mine/8chm) | Human FKBP12 in complex with (1S,5S,6R)-10-((S)-(3,5-dichlorophenyl)sulfinyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, CADMIUM ION, CHLORIDE ION, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.12 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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8CHJ
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![BU of 8chj by Molmil](/molmil-images/mine/8chj) | Human FKBP12 in complex with (1S,5S,6R)-10-((R)-(3,5-dichlorophenyl)sulfonimidoyl)-3-(pyridin-2-ylmethyl)-5-vinyl-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, DIMETHYL SULFOXIDE, GLYCEROL, ... | Authors: | Meyners, C, Purder, P.L, Hausch, F. | Deposit date: | 2023-02-08 | Release date: | 2023-09-06 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.697 Å) | Cite: | Deconstructing Protein Binding of Sulfonamides and Sulfonamide Analogues. Jacs Au, 3, 2023
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4CL7
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![BU of 4cl7 by Molmil](/molmil-images/mine/4cl7) | Crystal structure of VEGFR-1 domain 2 in presence of Cobalt | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1 | Authors: | Gaucher, J.-F, Reille-Seroussi, M, Gagey-Eilstein, N, Broussy, S, Coric, P, Seijo, B, Lascombe, M.-B, Gautier, B, Liu, W.-Q, Huguenot, F, Inguimbert, N, Bouaziz, S, Vidal, M, Broutin, I. | Deposit date: | 2014-01-13 | Release date: | 2015-01-28 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Biophysical Studies of the Induced Dimerization of Human Vegf R Receptor 1 Binding Domain by Divalent Metals Competing with Vegf-A Plos One, 11, 2016
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6T5J
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![BU of 6t5j by Molmil](/molmil-images/mine/6t5j) | Structure of NUDT15 in complex with inhibitor TH1760 | Descriptor: | 6-[4-(1~{H}-indol-5-ylcarbonyl)piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one, CHLORIDE ION, MAGNESIUM ION, ... | Authors: | Carter, M, Rehling, D, Desroses, M, Zhang, S.M, Hagenkort, A, Valerie, N.C.K, Helleday, T, Stenmark, P. | Deposit date: | 2019-10-16 | Release date: | 2020-07-29 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Development of a chemical probe against NUDT15. Nat.Chem.Biol., 16, 2020
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8C8G
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![BU of 8c8g by Molmil](/molmil-images/mine/8c8g) | |
4CW5
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![BU of 4cw5 by Molmil](/molmil-images/mine/4cw5) | |
3N78
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![BU of 3n78 by Molmil](/molmil-images/mine/3n78) | SgrAI bound to Secondary Site DNA and Mg(II) | Descriptor: | DNA (5'-D(*AP*GP*TP*CP*CP*AP*CP*CP*GP*GP*GP*GP*GP*AP*CP*T)-3'), DNA (5'-D(*AP*GP*TP*CP*CP*CP*CP*CP*GP*GP*TP*GP*GP*AP*CP*T)-3'), MAGNESIUM ION, ... | Authors: | Horton, N.C, Little, E.J, Dunten, P.W. | Deposit date: | 2010-05-26 | Release date: | 2010-11-24 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | New clues in the allosteric activation of DNA cleavage by SgrAI: structures of SgrAI bound to cleaved primary-site DNA and uncleaved secondary-site DNA. Acta Crystallogr.,Sect.D, 67, 2011
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