6ATB
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![BU of 6atb by Molmil](/molmil-images/mine/6atb) | Crystal Structure of human NAMPT in complex with NVP-LOD812 | Descriptor: | DIMETHYL SULFOXIDE, GLYCEROL, N-{4-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]phenyl}-N'-[(pyridin-3-yl)methyl]urea, ... | Authors: | Weihofen, W.A, Thigale, S. | Deposit date: | 2017-08-28 | Release date: | 2018-09-12 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Identification and structure based design of cellularly active cyclo-propyl carboxamide Nicotinamide phosphoribosyltransferase (NAMPT) inhibitors To Be Published
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4AFF
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![BU of 4aff by Molmil](/molmil-images/mine/4aff) | High resolution structure of a PII mutant (I86N) protein in complex with ATP, MG and FLC | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, CITRATE ANION, MAGNESIUM ION, ... | Authors: | Zeth, K, Fokina, O, Chellamuthu, V.R, Forchhammer, K. | Deposit date: | 2012-01-19 | Release date: | 2012-02-01 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.05 Å) | Cite: | An Engineered Pii Protein Variant that Senses a Novel Ligand: Atomic Resolution Structure of the Complex with Citrate. Acta Crystallogr.,Sect.D, 68, 2012
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4LON
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![BU of 4lon by Molmil](/molmil-images/mine/4lon) | |
4M7G
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![BU of 4m7g by Molmil](/molmil-images/mine/4m7g) | Streptomyces Erythraeus Trypsin | Descriptor: | Trypsin-like protease | Authors: | Blankenship, E, Vukoti, K, Miyagi, M, Lodowski, D.T. | Deposit date: | 2013-08-12 | Release date: | 2014-03-12 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (0.81 Å) | Cite: | Conformational flexibility in the catalytic triad revealed by the high-resolution crystal structure of Streptomyces erythraeus trypsin in an unliganded state. Acta Crystallogr.,Sect.D, 70, 2014
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4M8N
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![BU of 4m8n by Molmil](/molmil-images/mine/4m8n) | Crystal Structure of PlexinC1/Rap1B Complex | Descriptor: | ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... | Authors: | Pascoe, H.G, Wang, Y, Brautigam, C.A, He, H, Zhang, X. | Deposit date: | 2013-08-13 | Release date: | 2013-10-09 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3.294 Å) | Cite: | Structural basis for activation and non-canonical catalysis of the Rap GTPase activating protein domain of plexin. Elife, 2, 2013
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2FUN
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![BU of 2fun by Molmil](/molmil-images/mine/2fun) | alternative p35-caspase-8 complex | Descriptor: | Early 35 kDa protein, caspase-8 | Authors: | Lu, M, Min, T, Eliezer, D, Wu, H. | Deposit date: | 2006-01-27 | Release date: | 2006-06-27 | Last modified: | 2023-08-30 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Native chemical ligation in covalent caspase inhibition by p35. Chem.Biol., 13, 2006
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4MLA
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![BU of 4mla by Molmil](/molmil-images/mine/4mla) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | 1,2-ETHANEDIOL, Cytokinin oxidase 2, FLAVIN-ADENINE DINUCLEOTIDE, ... | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.04 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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1Q7L
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![BU of 1q7l by Molmil](/molmil-images/mine/1q7l) | Zn-binding domain of the T347G mutant of human aminoacylase-I | Descriptor: | Aminoacylase-1, GLYCINE, ZINC ION | Authors: | Lindner, H.A, Lunin, V.V, Alary, A, Hecker, R, Cygler, M, Menard, R. | Deposit date: | 2003-08-19 | Release date: | 2004-01-20 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Essential roles of zinc ligation and enzyme dimerization for catalysis in the aminoacylase-1/M20 family. J.Biol.Chem., 278, 2003
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7XK8
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![BU of 7xk8 by Molmil](/molmil-images/mine/7xk8) | Cryo-EM structure of the Neuromedin U receptor 2 (NMUR2) in complex with G Protein and its endogeneous Peptide-Agonist NMU25 | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | Authors: | Zhao, W, Wenru, Z, Mu, W, Minmin, L, Shutian, C, Tingting, T, Gisela, S, Holger, W, Albert, B, Cuiying, Y, Xiaojing, C, Han, S, Wu, B, Zhao, Q. | Deposit date: | 2022-04-19 | Release date: | 2023-02-22 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Ligand recognition and activation of neuromedin U receptor 2. Nat Commun, 13, 2022
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4R7W
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![BU of 4r7w by Molmil](/molmil-images/mine/4r7w) | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine | Descriptor: | (2R)-2-amino-2,5-dihydro-1,5,2-diazaphosphinin-6(1H)-one 2-oxide, 1,2-ETHANEDIOL, Cytosine deaminase, ... | Authors: | Fedorov, A.A, Fedorov, E.V, Hitchcock, D.S, Raushel, F.M, Almo, S.C. | Deposit date: | 2014-08-28 | Release date: | 2014-09-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.902 Å) | Cite: | Crystal structure of 5-methylcytosine deaminase from Klebsiella pneumoniae liganded with phosphonocytosine To be Published
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4ML8
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![BU of 4ml8 by Molmil](/molmil-images/mine/4ml8) | Structure of maize cytokinin oxidase/dehydrogenase 2 (ZmCKO2) | Descriptor: | Cytokinin oxidase 2, DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE | Authors: | Morera, S, Kopecny, D, Briozzo, P, Koncitikova, R. | Deposit date: | 2013-09-06 | Release date: | 2015-03-11 | Last modified: | 2016-03-23 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Kinetic and structural investigation of the cytokinin oxidase/dehydrogenase active site. Febs J., 283, 2016
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4R5F
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![BU of 4r5f by Molmil](/molmil-images/mine/4r5f) | X-ray structure of the D199K mutant of the cysteine desulfurase IscS from A. fulgidus | Descriptor: | 4'-DEOXY-4'-AMINOPYRIDOXAL-5'-PHOSPHATE, ACETATE ION, CALCIUM ION, ... | Authors: | Pagnier, A, Nicolet, Y, Fontecilla-Camps, J.C. | Deposit date: | 2014-08-21 | Release date: | 2014-12-17 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | IscS from Archaeoglobus fulgidus has no desulfurase activity but may provide a cysteine ligand for [Fe2S2] cluster assembly. Biochim.Biophys.Acta, 1853, 2015
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3I4V
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![BU of 3i4v by Molmil](/molmil-images/mine/3i4v) | Crystal structure determination of catechol 1,2-dioxygenase from rhodococcus opacus 1CP in complex with 3-chlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 3-chlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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3I51
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![BU of 3i51 by Molmil](/molmil-images/mine/3i51) | Crystal structure determination of Catechol 1,2-Dioxygenase from Rhodococcus opacus 1CP in complex with 4,5-dichlorocatechol | Descriptor: | (4S,7R)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE, 4,5-dichlorobenzene-1,2-diol, Catechol 1,2-dioxygenase, ... | Authors: | Matera, I, Ferraroni, M, Kolomytseva, M, Briganti, F, Scozzafava, A. | Deposit date: | 2009-07-03 | Release date: | 2010-01-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Catechol 1,2-dioxygenase from the Gram-positive Rhodococcus opacus 1CP: Quantitative structure/activity relationship and the crystal structures of native enzyme and catechols adducts. J.Struct.Biol., 170, 2010
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2MJY
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![BU of 2mjy by Molmil](/molmil-images/mine/2mjy) | Solution structure of synthetic Mamba-1 peptide | Descriptor: | Mambalgin-1 | Authors: | He, Y, Wu, F, Tian, C. | Deposit date: | 2014-01-21 | Release date: | 2015-01-28 | Last modified: | 2023-06-14 | Method: | SOLUTION NMR | Cite: | One-pot hydrazide-based native chemical ligation for efficient chemical synthesis and structure determination of toxin Mambalgin-1 Chem.Commun.(Camb.), 50, 2014
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4C5R
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![BU of 4c5r by Molmil](/molmil-images/mine/4c5r) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid, GLYCEROL, PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.14 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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4C5S
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![BU of 4c5s by Molmil](/molmil-images/mine/4c5s) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid, PHENYLALANINE AMMONIA-LYASE | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2013-09-16 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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7XU8
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![BU of 7xu8 by Molmil](/molmil-images/mine/7xu8) | Structure of the complex of camel peptidoglycan recognition protein-short (PGRP-S) with heptanoic acid at 2.15 A resolution. | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, CARBONATE ION, ... | Authors: | Maurya, A, Ahmad, N, Viswanathan, V, Singh, P.K, Yamini, S, Sharma, P, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P. | Deposit date: | 2022-05-18 | Release date: | 2022-06-15 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Ligand recognition by peptidoglycan recognition protein-S (PGRP-S): structure of the complex of camel PGRP-S with heptanoic acid at 2.15 angstrom resolution. Int J Biochem Mol Biol, 13, 2022
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5H5J
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![BU of 5h5j by Molmil](/molmil-images/mine/5h5j) | Complex between ferredoxin and ferredoxin-NADP+ reductase from maize root | Descriptor: | FE2/S2 (INORGANIC) CLUSTER, FLAVIN-ADENINE DINUCLEOTIDE, Ferredoxin--NADP reductase, ... | Authors: | Kurisu, G, Hase, T. | Deposit date: | 2016-11-05 | Release date: | 2017-02-01 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Structural basis for the isotype-specific interactions of ferredoxin and ferredoxin: NADP(+) oxidoreductase: an evolutionary switch between photosynthetic and heterotrophic assimilation Photosyn. Res., 134, 2017
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1M9S
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![BU of 1m9s by Molmil](/molmil-images/mine/1m9s) | Crystal structure of Internalin B (InlB), a Listeria monocytogenes virulence protein containing SH3-like domains. | Descriptor: | Internalin B, SULFATE ION, TERBIUM(III) ION | Authors: | Marino, M, Banerjee, M, Jonquieres, R, Cossart, P, Ghosh, P. | Deposit date: | 2002-07-29 | Release date: | 2002-11-06 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | GW domains of the Listeria monocytogenes invasion protein InlB are SH3-like and mediate binding to host ligands Embo J., 21, 2002
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2X58
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![BU of 2x58 by Molmil](/molmil-images/mine/2x58) | The crystal structure of MFE1 liganded with CoA | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, COENZYME A, GLYCEROL, ... | Authors: | Kasaragod, P, Venkatesan, R, Kiema, T.R, Hiltunen, J.K, Wierenga, R.K. | Deposit date: | 2010-02-05 | Release date: | 2010-05-12 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | The Crystal Structure of Liganded Rat Peroxisomal Multifunctional Enzyme Type 1: A Flexible Molecule with Two Interconnected Active Sites J.Biol.Chem., 285, 2010
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4TS9
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![BU of 4ts9 by Molmil](/molmil-images/mine/4ts9) | |
4TTJ
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![BU of 4ttj by Molmil](/molmil-images/mine/4ttj) | Crystal structure of double mutant E. Coli purine nucleoside phosphorylase with 6 FMC molecules | Descriptor: | (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol, PHOSPHATE ION, Purine nucleoside phosphorylase DeoD-type, ... | Authors: | Stefanic, Z, Bzowska, A. | Deposit date: | 2014-06-21 | Release date: | 2015-07-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.874 Å) | Cite: | Crystallographic snapshots of ligand binding to hexameric purine nucleoside phosphorylase and kinetic studies give insight into the mechanism of catalysis. Sci Rep, 8, 2018
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4IY4
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![BU of 4iy4 by Molmil](/molmil-images/mine/4iy4) | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 | Descriptor: | Metal transporter CNNM2 | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Encinar, J.A, Spiwok, V, Gomez-Garcia, I, Oyenarte, I, Ereno-Orbea, J, Terashima, H, Accardi, A, Diercks, T, Muller, D, Martinez-Cruz, L.A. | Deposit date: | 2013-01-28 | Release date: | 2014-03-12 | Last modified: | 2024-03-20 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Structural and ligand binding properties of the Bateman domain of human magnesium transporters CNNM2 and CNNM4 To be Published
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4CQ5
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![BU of 4cq5 by Molmil](/molmil-images/mine/4cq5) | Structural Investigations into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus chinensis | Descriptor: | 1,2-ETHANEDIOL, GLYCEROL, PHENYLALANINE AMINOMUTASE, ... | Authors: | Wybenga, G.G, Szymanski, W, Wu, B, Feringa, B.L, Janssen, D.B, Dijkstra, B.W. | Deposit date: | 2014-02-11 | Release date: | 2014-05-07 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Investigations Into the Stereochemistry and Activity of a Phenylalanine-2,3-Aminomutase from Taxus Chinensis. Biochemistry, 53, 2014
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