7K9C
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7RVJ
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2IDS
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![BU of 2ids by Molmil](/molmil-images/mine/2ids) | Structure of M98A mutant of amicyanin, Cu(I) | Descriptor: | Amicyanin, COPPER (I) ION | Authors: | Carrell, C.J, Ma, J.K, Antholine, W, Hosler, J.P, Mathews, F.S, Davidson, V.L. | Deposit date: | 2006-09-15 | Release date: | 2007-03-13 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Generation of Novel Copper Sites by Mutation of the Axial Ligand of Amicyanin. Atomic Resolution Structures and Spectroscopic Properties Biochemistry, 46, 2007
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6ZX1
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![BU of 6zx1 by Molmil](/molmil-images/mine/6zx1) | OMPD-domain of human UMPS in complex with 6-Aza-UMP at 1.0 Angstroms resolution | Descriptor: | 6-AZA URIDINE 5'-MONOPHOSPHATE, PROLINE, SULFATE ION, ... | Authors: | Tittmann, K, Rindfleisch, S, Krull, M. | Deposit date: | 2020-07-29 | Release date: | 2022-02-23 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Ground-state destabilization by electrostatic repulsion is not a driving force in orotidine-5-monophosphate decarboxylase catalysis Nat Catal, 5, 2022
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6ZWY
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6UDR
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![BU of 6udr by Molmil](/molmil-images/mine/6udr) | S2 symmetric peptide design number 3 crystal form 1, Lurch | Descriptor: | S2-3, Lurch crystal form 1 | Authors: | Mulligan, V.K, Kang, C.S, Antselovich, I, Sawaya, M.R, Yeates, T.O, Baker, D. | Deposit date: | 2019-09-19 | Release date: | 2020-09-23 | Last modified: | 2020-12-02 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Computational design of mixed chirality peptide macrocycles with internal symmetry. Protein Sci., 29, 2020
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4AXO
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![BU of 4axo by Molmil](/molmil-images/mine/4axo) | Structure of the Clostridium difficile EutQ protein | Descriptor: | ETHANOLAMINE UTILIZATION PROTEIN, MAGNESIUM ION | Authors: | Pitts, A.C, Tuck, L.R, Faulds-Pain, A, Lewis, R.J, Marles-Wright, J. | Deposit date: | 2012-06-13 | Release date: | 2012-06-27 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Insight Into the Clostridium Difficile Ethanolamine Utilisation Microcompartment. Plos One, 7, 2012
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3A02
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![BU of 3a02 by Molmil](/molmil-images/mine/3a02) | Crystal structure of Aristaless homeodomain | Descriptor: | CADMIUM ION, CHLORIDE ION, Homeobox protein aristaless | Authors: | Miyazono, K, Nagata, K, Saigo, K, Kojima, T, Tanokura, M. | Deposit date: | 2009-02-28 | Release date: | 2010-03-09 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Cooperative DNA-binding and sequence-recognition mechanism of aristaless and clawless Embo J., 29, 2010
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5B5H
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![BU of 5b5h by Molmil](/molmil-images/mine/5b5h) | Hydrophobic ice-binding site confer hyperactivity on antifreeze protein from a snow mold fungus | Descriptor: | Antifreeze protein, SODIUM ION, SULFATE ION | Authors: | Cheng, J, Hanada, Y, Miura, A, Tsuda, S, Kondo, H. | Deposit date: | 2016-05-06 | Release date: | 2016-09-28 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Hydrophobic ice-binding sites confer hyperactivity of an antifreeze protein from a snow mold fungus. Biochem.J., 473, 2016
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6RL9
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![BU of 6rl9 by Molmil](/molmil-images/mine/6rl9) | Human Carbonic Anhydrase II in complex with 4-Aminobenzenesulfonamide | Descriptor: | (4-CARBOXYPHENYL)(CHLORO)MERCURY, Carbonic anhydrase 2, MERCURY (II) ION, ... | Authors: | Gloeckner, S, Heine, A, Klebe, G. | Deposit date: | 2019-05-01 | Release date: | 2020-04-15 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The Influence of Varying Fluorination Patterns on the Thermodynamics and Kinetics of Benzenesulfonamide Binding to Human Carbonic Anhydrase II. Biomolecules, 10, 2020
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3VHG
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8TSX
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8G22
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![BU of 8g22 by Molmil](/molmil-images/mine/8g22) | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. | Descriptor: | dTDP-4-dehydrorhamnose reductase | Authors: | Minasov, G, Shuvalova, L, Brunzelle, J.S, Kiryukhina, O, Satchell, K.J.F, Center for Structural Biology of Infectious Diseases (CSBID), Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2023-02-03 | Release date: | 2023-02-22 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal Structure of the dTDP-4-dehydrorhamnose Reductase from Streptococcus pneumoniae. To Be Published
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5IQN
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![BU of 5iqn by Molmil](/molmil-images/mine/5iqn) | Crystal structure of the E. coli type 1 pilus subunit FimG (engineered variant with substitution Q134E; N-terminal FimG residues 1-12 truncated) in complex with the donor strand peptide DsF_SRIRIRGYVR | Descriptor: | 1,2-ETHANEDIOL, COBALT (II) ION, Protein FimF, ... | Authors: | Giese, C, Eras, J, Kern, A, Scharer, M.A, Capitani, G, Glockshuber, R. | Deposit date: | 2016-03-11 | Release date: | 2016-07-06 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Accelerating the Association of the Most Stable Protein-Ligand Complex by More than Two Orders of Magnitude. Angew.Chem.Int.Ed.Engl., 55, 2016
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1K6U
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![BU of 1k6u by Molmil](/molmil-images/mine/1k6u) | Crystal Structure of Cyclic Bovine Pancreatic Trypsin Inhibitor | Descriptor: | 1,2-ETHANEDIOL, PANCREATIC TRYPSIN INHIBITOR, SULFATE ION | Authors: | Botos, I, Wu, Z, Lu, W, Wlodawer, A. | Deposit date: | 2001-10-17 | Release date: | 2001-12-19 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Crystal structure of a cyclic form of bovine pancreatic trypsin inhibitor. FEBS Lett., 509, 2001
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5LJT
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![BU of 5ljt by Molmil](/molmil-images/mine/5ljt) | Crystal structure of human carbonic anhydrase II in complex with the 4-((1-phenyl-1H-1,2,3-triazol-4-yl)methoxy)benzenesulfonamide inhibitor | Descriptor: | 4-[[4-[azanyl-bis(oxidanyl)-$l^{4}-sulfanyl]phenoxy]methyl]-1-phenyl-1,2,3-triazole, Carbonic anhydrase 2, GLYCEROL, ... | Authors: | Ferraroni, M, Supuran, C. | Deposit date: | 2016-07-19 | Release date: | 2017-06-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Benzenesulfonamides Incorporating Flexible Triazole Moieties Are Highly Effective Carbonic Anhydrase Inhibitors: Synthesis and Kinetic, Crystallographic, Computational, and Intraocular Pressure Lowering Investigations. J. Med. Chem., 59, 2016
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2JJJ
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![BU of 2jjj by Molmil](/molmil-images/mine/2jjj) | Endothiapepsin in complex with a gem-diol inhibitor. | Descriptor: | ENDOTHIAPEPSIN, N~2~-[(2R)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-{(1R)-1-(cyclohexylmethyl)-3,3-difluoro-2,2-dihydroxy-4-[(2-morpholin-4-ylethyl)amino]-4-oxobutyl}-3-(1H-imidazol-3-ium-4-yl)-L-alaninamide, SULFATE ION | Authors: | Coates, L, Tuan, H.-F, Tomanicek, S.J, Kovalevsky, A, Mustyakimov, M, Erskine, P, Cooper, J. | Deposit date: | 2008-04-09 | Release date: | 2008-05-27 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | The Catalytic Mechanism of an Aspartic Proteinase Explored with Neutron and X-Ray Diffraction J.Am.Chem.Soc., 130, 2008
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3A4R
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![BU of 3a4r by Molmil](/molmil-images/mine/3a4r) | The crystal structure of SUMO-like domain 2 in Nip45 | Descriptor: | 1,2-ETHANEDIOL, NFATC2-interacting protein, SULFATE ION | Authors: | Sekiyama, N, Arita, K, Ikeda, Y, Ariyoshi, M, Tochio, H, Saitoh, H, Shirakawa, M. | Deposit date: | 2009-07-14 | Release date: | 2010-02-02 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural basis for regulation of poly-SUMO chain by a SUMO-like domain of Nip45 Proteins, 78, 2009
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4DPB
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![BU of 4dpb by Molmil](/molmil-images/mine/4dpb) | The 1.00 Angstrom crystal structure of oxidized (CuII) poplar plastocyanin A at pH 8.0 | Descriptor: | COPPER (II) ION, Plastocyanin A, chloroplastic | Authors: | Kachalova, G.S, Shosheva, A.H, Bourenkov, G.P, Donchev, A.A, Dimitrov, M.I, Bartunik, H.D. | Deposit date: | 2012-02-13 | Release date: | 2013-02-13 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural comparison of the poplar plastocyanin isoforms PCa and PCb sheds new light on the role of the copper site geometry in interactions with redox partners in oxygenic photosynthesis. J.Inorg.Biochem., 115, 2012
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336D
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![BU of 336d by Molmil](/molmil-images/mine/336d) | INTERACTION BETWEEN LEFT-HANDED Z-DNA AND POLYAMINE-3 THE CRYSTAL STRUCTURE OF THE D(CG)3 AND THERMOSPERMINE COMPLEX | Descriptor: | DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), MAGNESIUM ION, N-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE | Authors: | Ohishi, H, Terasoma, N, Nakanishi, I, Van Der Marel, G, Van Boom, J.H, Rich, A, Wang, A.H.-J, Hakoshima, T, Tomita, K.-I. | Deposit date: | 1997-06-24 | Release date: | 1998-04-10 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Interaction between left-handed Z-DNA and polyamine - 3. The crystal structure of the d(CG)3 and thermospermine complex. FEBS Lett., 398, 1996
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6V7H
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![BU of 6v7h by Molmil](/molmil-images/mine/6v7h) | Structure of CTX-M-14 bound to Vaborbactam at 1.0 A | Descriptor: | 2-[(3~{R},6~{S})-2,2-bis(oxidanyl)-3-(2-thiophen-2-ylethanoylamino)-1-oxa-2-boranuidacyclohex-6-yl]ethanoic acid, Beta-lactamase, PHOSPHATE ION, ... | Authors: | Pemberton, O.A, Chen, Y. | Deposit date: | 2019-12-08 | Release date: | 2020-08-12 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Structural Basis and Binding Kinetics of Vaborbactam in Class A beta-Lactamase Inhibition. Antimicrob.Agents Chemother., 64, 2020
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5OBK
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![BU of 5obk by Molmil](/molmil-images/mine/5obk) | The Fk1 domain of FKBP51 in complex with (1S,5S,6R)-10-((3,5-dichlorophenyl)sulfonyl)-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one | Descriptor: | (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-(hydroxymethyl)-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one, Peptidyl-prolyl cis-trans isomerase FKBP5 | Authors: | Pomplun, S, Sippel, C, Haehle, A, Bracher, A, Hausch, F. | Deposit date: | 2017-06-28 | Release date: | 2018-04-04 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Chemogenomic Profiling of Human and Microbial FK506-Binding Proteins. J. Med. Chem., 61, 2018
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1JFB
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![BU of 1jfb by Molmil](/molmil-images/mine/1jfb) | X-ray structure of nitric oxide reductase (cytochrome P450nor) in the ferric resting state at atomic resolution | Descriptor: | GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, nitric-oxide reductase cytochrome P450 55A1 | Authors: | Shimizu, H, Adachi, S, Park, S.Y, Shiro, Y, RIKEN Structural Genomics/Proteomics Initiative (RSGI) | Deposit date: | 2001-06-20 | Release date: | 2001-12-20 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | X-ray structure of nitric oxide reductase (cytochrome P450nor) at atomic resolution. Acta Crystallogr.,Sect.D, 58, 2002
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2CNQ
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![BU of 2cnq by Molmil](/molmil-images/mine/2cnq) | Atomic resolution structure of SAICAR-synthase from Saccharomyces cerevisiae complexed with ADP, AICAR, succinate | Descriptor: | ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE, ... | Authors: | Urusova, D.V, Antonyuk, S.V, Grebenko, A.I, Levdikov, V.M, Barynin, V.V, Popov, A.N, Lamzin, V.S, Melik-Adamyan, W.R. | Deposit date: | 2006-05-23 | Release date: | 2006-06-08 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Saicar Synthase: Substrate Recognition, Conformational Flexibility and Catalysis. To be Published
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5IDB
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![BU of 5idb by Molmil](/molmil-images/mine/5idb) | Crystal structure of CGL1 from Crassostrea gigas, mannose-bound form (CGL1/MAN2) | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Natterin-3, alpha-D-mannopyranose, ... | Authors: | Unno, H. | Deposit date: | 2016-02-24 | Release date: | 2016-07-06 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (1 Å) | Cite: | Identification, Characterization, and X-ray Crystallographic Analysis of a Novel Type of Mannose-Specific Lectin CGL1 from the Pacific Oyster Crassostrea gigas. Sci Rep, 6, 2016
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