7RC2
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![BU of 7rc2 by Molmil](/molmil-images/mine/7rc2) | Aeronamide N-methyltransferase, AerE | Descriptor: | CALCIUM ION, Methyltransferase family protein, S-ADENOSYL-L-HOMOCYSTEINE, ... | Authors: | Cogan, D.P, Reyes, R, Nair, S.K. | Deposit date: | 2021-07-07 | Release date: | 2022-03-30 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.51 Å) | Cite: | Structure and mechanism for iterative amide N -methylation in the biosynthesis of channel-forming peptide cytotoxins. Proc.Natl.Acad.Sci.USA, 119, 2022
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8K7X
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![BU of 8k7x by Molmil](/molmil-images/mine/8k7x) | Crystal structure of GH146 beta-L-arabinofuranosidase Bll3HypBA1 (amino acids 380-1223) in complex with Tris | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GLYCEROL, MAGNESIUM ION, ... | Authors: | Pan, L, Maruyama, S, Miyake, M, Fujita, K, Fushinobu, S. | Deposit date: | 2023-07-27 | Release date: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Bifidobacterial GH146 beta-L-arabinofuranosidase for the removal of beta 1,3-L-arabinofuranosides on plant glycans. Appl.Microbiol.Biotechnol., 108, 2024
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2VV7
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![BU of 2vv7 by Molmil](/molmil-images/mine/2vv7) | BJFIXLH IN UNLIGANDED FERROUS FORM | Descriptor: | CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, SENSOR PROTEIN FIXL, ... | Authors: | Ayers, R.A, Moffat, K. | Deposit date: | 2008-06-04 | Release date: | 2008-11-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | Changes in Quaternary Structure in the Signaling Mechanisms of Pas Domains. Biochemistry, 47, 2008
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2WD4
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![BU of 2wd4 by Molmil](/molmil-images/mine/2wd4) | Ascorbate Peroxidase as a heme oxygenase: w41A variant product with t-butyl peroxide | Descriptor: | 3-[2-[[3-(2-CARBOXYETHYL)-5-[[3-ETHENYL-4-METHYL-5-[(2-METHYLPROPAN-2-YL)OXY]-1H-PYRROL-2-YL]METHYL]-4-METHYL-1H-PYRROL -2-YL]METHYL]-5-[(Z)-(4-ETHENYL-3-METHYL-5-OXO-PYRROL-2-YLIDENE)METHYL]-4-METHYL-1H-PYRROL-3-YL]PROPANOIC ACID, ASCORBATE PEROXIDASE, FE (III) ION, ... | Authors: | Badyal, S.K, Metcalfe, C.L, Gumiero, A, Raven, E.L, Moody, P.C.E. | Deposit date: | 2009-03-19 | Release date: | 2009-04-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Evidence for Heme Oxygenase Activity in a Heme Peroxidase. Biochemistry, 48, 2009
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7RMA
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![BU of 7rma by Molmil](/molmil-images/mine/7rma) | Structure of the fourth UIM (Ubiquitin Interacting Motif) of ANKRD13D in complex with a high affinity UbV (Ubiquitin Variant) | Descriptor: | Ankyrin repeat domain-containing protein 13D, SODIUM ION, SULFATE ION, ... | Authors: | Singer, A.U, Manczyk, N, Veggiani, G, Sicheri, F, Sidhu, S.S. | Deposit date: | 2021-07-27 | Release date: | 2022-05-11 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Panel of Engineered Ubiquitin Variants Targeting the Family of Human Ubiquitin Interacting Motifs. Acs Chem.Biol., 17, 2022
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7R4U
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![BU of 7r4u by Molmil](/molmil-images/mine/7r4u) | Apoform of FtrA/P19 from Rubrivivax gelatinosus | Descriptor: | FtrA-P19, GLYCEROL, SODIUM ION, ... | Authors: | Morera, S, Vigouroux, A, Plancqueel, S. | Deposit date: | 2022-02-09 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.23 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
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7QZQ
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![BU of 7qzq by Molmil](/molmil-images/mine/7qzq) | Crystal structure of the kelch domain of human KBTBD12 | Descriptor: | 1,2-ETHANEDIOL, Kelch repeat and BTB domain-containing protein 12, SODIUM ION | Authors: | Manning, C.E, Chen, Z, Chen, X, Bradshaw, W.J, Bakshi, S, Mckinley, G, Chalk, R, Burgess-Brown, N, von Delft, F, Bullock, A.N. | Deposit date: | 2022-01-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | Crystal structure of the kelch domain of human KBTBD12 To Be Published
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8I4D
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![BU of 8i4d by Molmil](/molmil-images/mine/8i4d) | X-ray structure of a L-rhamnose-alpha-1,4-D-glucuronate lyase from Fusarium oxysporum 12S, L-Rha complex at 100K | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Yano, N, Kondo, T, Kusaka, K, Yamada, T, Arakawa, T, Sakamoto, T, Fushinobu, S. | Deposit date: | 2023-01-19 | Release date: | 2024-01-24 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.06 Å) | Cite: | Charge neutralization and beta-elimination cleavage mechanism of family 42 L-rhamnose-alpha-1,4-D-glucuronate lyase revealed using neutron crystallography. J.Biol.Chem., 300, 2024
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7R3S
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![BU of 7r3s by Molmil](/molmil-images/mine/7r3s) | FtrA/P19 of Rubrivivax gelatinosus in complex with Ni | Descriptor: | FtrA-P19 protein, GLYCEROL, NICKEL (II) ION, ... | Authors: | Morera, S, Vigouroux, A. | Deposit date: | 2022-02-07 | Release date: | 2022-05-18 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | New insights into the mechanism of iron transport through the bacterial Ftr system present in pathogens. Febs J., 289, 2022
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1T67
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![BU of 1t67 by Molmil](/molmil-images/mine/1t67) | Crystal Structure of Human HDAC8 complexed with MS-344 | Descriptor: | 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, SODIUM ION, ... | Authors: | Somoza, J.R, Skene, R.J, Katz, B.A, Mol, C, Ho, J.D, Jennings, A.J, Luong, C, Arvai, A, Buggy, J.J, Chi, E, Tang, J, Sang, B.-C, Verner, E, Wynands, R, Leahy, E.M, Dougan, D.R, Snell, G, Navre, M, Knuth, M.W, Swanson, R.V, McRee, D.E, Tari, L.W. | Deposit date: | 2004-05-05 | Release date: | 2004-07-27 | Last modified: | 2023-08-23 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Structural Snapshots of Human HDAC8 Provide Insights into the Class I Histone Deacetylases Structure, 12, 2004
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7RGA
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![BU of 7rga by Molmil](/molmil-images/mine/7rga) | Crystal structure of nanoCLAMP3:VHH in complex with MTX | Descriptor: | METHOTREXATE, SODIUM ION, nano CLostridial Antibody Mimetic Protein 3 VHH | Authors: | Guo, Z, Alexandrov, K. | Deposit date: | 2021-07-14 | Release date: | 2022-05-25 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.9 Å) | Cite: | Design of a methotrexate-controlled chemical dimerization system and its use in bio-electronic devices. Nat Commun, 12, 2021
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7RQX
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![BU of 7rqx by Molmil](/molmil-images/mine/7rqx) | Cryo-EM structure of the full-length TRPV1 with RTx at 25 degrees Celsius, in an intermediate-open state, class A | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.36 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RQV
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![BU of 7rqv by Molmil](/molmil-images/mine/7rqv) | Cryo-EM structure of the full-length TRPV1 with RTx at 4 degrees Celsius, in an intermediate-closed state, class II | Descriptor: | 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine, SODIUM ION, Transient receptor potential cation channel subfamily V member 1, ... | Authors: | Kwon, D.H, Suo, Y, Lee, S.-Y. | Deposit date: | 2021-08-08 | Release date: | 2022-06-01 | Method: | ELECTRON MICROSCOPY (3.45 Å) | Cite: | Vanilloid-dependent TRPV1 opening trajectory from cryoEM ensemble analysis. Nat Commun, 13, 2022
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7RAD
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![BU of 7rad by Molmil](/molmil-images/mine/7rad) | Crystal Structure Analysis of ALDH1B1 | Descriptor: | 1,2-ETHANEDIOL, 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine, Aldehyde dehydrogenase X, ... | Authors: | Fernandez, D, Chen, J.K. | Deposit date: | 2021-07-01 | Release date: | 2022-06-08 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Inhibitors targeted to aldehyde dehydrogenase Nat.Chem.Biol., 2022
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2VWL
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![BU of 2vwl by Molmil](/molmil-images/mine/2vwl) | Aminopyrrolidine Factor Xa inhibitor | Descriptor: | 5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3R,5S)-1-{[2-FLUORO-4-(2-OXO-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-METHYL}-5-HYDROXYMETHYL-PYRROLIDIN-3-YL)-AMIDE, ACTIVATED FACTOR XA HEAVY CHAIN, CALCIUM ION, ... | Authors: | Groebke-Zbinden, K, Banner, D.W, Benz, J.M, Blasco, F, Decoret, G, Himber, J, Kuhn, B, Panday, N, Ricklin, F, Risch, P, Schlatter, D, Stahl, M, Unger, R, Haap, W. | Deposit date: | 2008-06-26 | Release date: | 2009-07-07 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Design of Novel Aminopyrrolidine Factor Xa Inhibitors from a Screening Hit. Eur.J.Med.Chem., 44, 2009
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1YPE
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![BU of 1ype by Molmil](/molmil-images/mine/1ype) | Thrombin Inhibitor Complex | Descriptor: | (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, GLYCEROL, Hirudin, ... | Authors: | Fokkens, J, Obst-Sander, U, Heine, A, Diederich, F, Klebe, G. | Deposit date: | 2005-01-31 | Release date: | 2006-01-17 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.81 Å) | Cite: | A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates Angew.Chem.Int.Ed.Engl., 45, 2006
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8KI0
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![BU of 8ki0 by Molmil](/molmil-images/mine/8ki0) | Crystal structure of the hemophore HasA from Pseudomonas protegens Pf-5 capturing Fe-tetraphenylporphyrin | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, GLYCEROL, Heme acquisition protein HasAp, ... | Authors: | Shisaka, Y, Inaba, H, Sugimoto, H, Shoji, O. | Deposit date: | 2023-08-22 | Release date: | 2024-03-27 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Heme-substituted protein assembly bridged by synthetic porphyrin: achieving controlled configuration while maintaining rotational freedom. Rsc Adv, 14, 2024
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7RCF
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![BU of 7rcf by Molmil](/molmil-images/mine/7rcf) | |
7RCG
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![BU of 7rcg by Molmil](/molmil-images/mine/7rcg) | |
3DIZ
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![BU of 3diz by Molmil](/molmil-images/mine/3diz) | |
2WL5
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![BU of 2wl5 by Molmil](/molmil-images/mine/2wl5) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE H348N MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, CHLORIDE ION, COENZYME A, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-22 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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7RCE
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3DK1
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![BU of 3dk1 by Molmil](/molmil-images/mine/3dk1) | Wild Type HIV-1 Protease with potent Antiviral inhibitor GRL-0105A | Descriptor: | (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate, CHLORIDE ION, Protease, ... | Authors: | Wang, Y.F, Weber, I.T. | Deposit date: | 2008-06-24 | Release date: | 2009-05-12 | Last modified: | 2023-11-01 | Method: | X-RAY DIFFRACTION (1.07 Å) | Cite: | Potent HIV-1 protease inhibitors incorporating meso-bicyclic urethanes as P2-ligands: structure-based design, synthesis, biological evaluation and protein-ligand X-ray studies Org.Biomol.Chem., 6, 2008
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2WIE
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![BU of 2wie by Molmil](/molmil-images/mine/2wie) | High-resolution structure of the rotor ring from a proton dependent ATP synthase | Descriptor: | ATP SYNTHASE C CHAIN, CYMAL-4 | Authors: | Pogoryelov, D, Yildiz, O, Faraldo-Gomez, J.D, Meier, T. | Deposit date: | 2009-05-11 | Release date: | 2009-09-29 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.13 Å) | Cite: | High-Resolution Structure of the Rotor Ring of a Proton-Dependent ATP Synthase. Nat.Struct.Mol.Biol., 16, 2009
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2WKV
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![BU of 2wkv by Molmil](/molmil-images/mine/2wkv) | BIOSYNTHETIC THIOLASE FROM Z. RAMIGERA. COMPLEX OF THE N316D MUTANT WITH COENZYME A. | Descriptor: | ACETYL-COA ACETYLTRANSFERASE, COENZYME A, SODIUM ION, ... | Authors: | Merilainen, G, Poikela, V, Kursula, P, Wierenga, R.K. | Deposit date: | 2009-06-18 | Release date: | 2009-11-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | The Thiolase Reaction Mechanism: The Importance of Asn316 and His348 for Stabilizing the Enolate Intermediate of the Claisen Condensation. Biochemistry, 48, 2009
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