5I3R
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![BU of 5i3r by Molmil](/molmil-images/mine/5i3r) | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor | Descriptor: | BMP-2-inducible protein kinase, N-[6-(3-{[(cyclopropylmethyl)sulfonyl]amino}phenyl)-1H-indazol-3-yl]cyclopropanecarboxamide, PHOSPHATE ION | Authors: | Counago, R.M, Sorrell, F.J, Krojer, T, Savitsky, P, Elkins, J.M, Axtman, A, Drewry, D, Wells, C, Zhang, C, Zuercher, W, Willson, T.M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Arruda, P, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2016-02-10 | Release date: | 2016-03-09 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal Structure of BMP-2-inducible kinase in complex with an Indazole inhibitor To Be Published
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7LPS
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![BU of 7lps by Molmil](/molmil-images/mine/7lps) | Crystal structure of DDB1-CRBN-ALV1 complex bound to Helios (IKZF2 ZF2) | Descriptor: | 3-[3-[[1-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-2,5-bis(oxidanylidene)pyrrol-3-yl]amino]phenyl]-~{N}-(3-chloranyl-4-methyl-phenyl)propanamide, DNA damage-binding protein 1, Protein cereblon, ... | Authors: | Nowak, R.P, Fischer, E.S. | Deposit date: | 2021-02-12 | Release date: | 2021-06-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (3.78 Å) | Cite: | Acute pharmacological degradation of Helios destabilizes regulatory T cells. Nat.Chem.Biol., 17, 2021
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7LJO
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![BU of 7ljo by Molmil](/molmil-images/mine/7ljo) | Structure of the Bacteroides fragilis CD-NTase CdnB in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CD-NTase, MAGNESIUM ION | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J. | Deposit date: | 2021-01-29 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense. Cell Rep, 35, 2021
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6K7S
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![BU of 6k7s by Molmil](/molmil-images/mine/6k7s) | Crystal structure of thymidylate synthase from shrimp | Descriptor: | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE, TOMUDEX, Thymidylate synthase | Authors: | Ma, Q, Zang, K, Liu, C. | Deposit date: | 2019-06-08 | Release date: | 2020-06-10 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Structural analysis of a shrimp thymidylate synthase reveals species-specific interactions with dUMP and raltitrexed. J Oceanol Limnol, 38, 2020
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6D3Q
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![BU of 6d3q by Molmil](/molmil-images/mine/6d3q) | Crystal structure of Escherichia coli enolase complexed with a natural inhibitor SF2312. | Descriptor: | Enolase, GLYCEROL, MAGNESIUM ION, ... | Authors: | Erlandsen, H, Krucinska, J, Hazeen, A, Wright, D. | Deposit date: | 2018-04-16 | Release date: | 2019-11-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.24 Å) | Cite: | Functional and structural basis of E. coli enolase inhibition by SF2312: a mimic of the carbanion intermediate. Sci Rep, 9, 2019
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5UTQ
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![BU of 5utq by Molmil](/molmil-images/mine/5utq) | |
7LJN
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![BU of 7ljn by Molmil](/molmil-images/mine/7ljn) | Structure of the Bradyrhizobium diazoefficiens CD-NTase CdnG in complex with GTP | Descriptor: | CD-NTase, GUANOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION | Authors: | Govande, A, Lowey, B, Eaglesham, J.B, Whiteley, A.T, Kranzusch, P.J. | Deposit date: | 2021-01-29 | Release date: | 2021-06-02 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Molecular basis of CD-NTase nucleotide selection in CBASS anti-phage defense. Cell Rep, 35, 2021
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5UU2
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![BU of 5uu2 by Molmil](/molmil-images/mine/5uu2) | |
6D1P
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![BU of 6d1p by Molmil](/molmil-images/mine/6d1p) | Apo structure of Bacteroides uniformis beta-glucuronidase 3 | Descriptor: | GLYCEROL, Glycosyl hydrolases family 2, sugar binding domain protein, ... | Authors: | Walton, W.G, Pellock, S.J, Redinbo, M.R. | Deposit date: | 2018-04-12 | Release date: | 2018-10-17 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Three structurally and functionally distinct beta-glucuronidases from the human gut microbeBacteroides uniformis. J. Biol. Chem., 293, 2018
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7LC0
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![BU of 7lc0 by Molmil](/molmil-images/mine/7lc0) | Structure of D-Glucosaminate-6-phosphate Ammonia-lyase | Descriptor: | ACETIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Phillips, R.S. | Deposit date: | 2021-01-09 | Release date: | 2021-06-09 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structure and Mechanism of d-Glucosaminate-6-phosphate Ammonia-lyase: A Novel Octameric Assembly for a Pyridoxal 5'-Phosphate-Dependent Enzyme, and Unprecedented Stereochemical Inversion in the Elimination Reaction of a d-Amino Acid. Biochemistry, 60, 2021
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6K6V
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![BU of 6k6v by Molmil](/molmil-images/mine/6k6v) | Crystal structure of barley exohydrolaseI W434A mutant in complex with methyl 6-thio-beta-gentiobioside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | Deposit date: | 2019-06-05 | Release date: | 2020-08-19 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases. Nat Commun, 13, 2022
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5UX1
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![BU of 5ux1 by Molmil](/molmil-images/mine/5ux1) | |
6CSL
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![BU of 6csl by Molmil](/molmil-images/mine/6csl) | Pneumococcal PhtD protein 269-339 fragment with bound Zn(II) | Descriptor: | Histidine triad protein D, ZINC ION | Authors: | Luo, Z, Pederick, V.G, Paton, J.C, McDevitt, C.A, Kobe, B. | Deposit date: | 2018-03-20 | Release date: | 2018-06-13 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (1.921 Å) | Cite: | Structural characterisation of the HT3 motif of the polyhistidine triad protein D from Streptococcus pneumoniae. FEBS Lett., 592, 2018
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7MLT
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![BU of 7mlt by Molmil](/molmil-images/mine/7mlt) | Crystal structure of ricin A chain in complex with 5-(2-ethylphenyl)thiophene-2-carboxylic acid | Descriptor: | 1,2-ETHANEDIOL, 5-(2-ethylphenyl)thiophene-2-carboxylic acid, CHLORIDE ION, ... | Authors: | Harijan, R.K, Li, X.P, Cao, B, Augeri, D, Bonanno, J.B, Almo, S.C, Tumer, N.E, Schramm, V.L. | Deposit date: | 2021-04-29 | Release date: | 2022-02-09 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Synthesis and Structural Characterization of Ricin Inhibitors Targeting Ribosome Binding Using Fragment-Based Methods and Structure-Based Design. J.Med.Chem., 64, 2021
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5UXM
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![BU of 5uxm by Molmil](/molmil-images/mine/5uxm) | Type II DAH7PS from Pseudomonas aeruginosa with Trp bound | Descriptor: | CHLORIDE ION, COBALT (II) ION, PHOSPHATE ION, ... | Authors: | Sterritt, O.W, Jameson, G.B, Parker, E.J. | Deposit date: | 2017-02-23 | Release date: | 2018-02-28 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A Pseudoisostructural Type II DAH7PS Enzyme from Pseudomonas aeruginosa: Alternative Evolutionary Strategies to Control Shikimate Pathway Flux. Biochemistry, 57, 2018
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6K9S
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![BU of 6k9s by Molmil](/molmil-images/mine/6k9s) | Structure of the Carbonylruthenium Mesoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan | Descriptor: | (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, CARBON MONOXIDE, ... | Authors: | Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O. | Deposit date: | 2019-06-17 | Release date: | 2020-03-18 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.55 Å) | Cite: | Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain. Angew.Chem.Int.Ed.Engl., 59, 2020
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6CT3
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![BU of 6ct3 by Molmil](/molmil-images/mine/6ct3) | Directed evolutionary changes in Kemp Eliminase KE07 - Crystal 27 round 7-2 | Descriptor: | 5-nitro-2-oxidanyl-benzenecarbonitrile, GLYCEROL, Kemp eliminase, ... | Authors: | Jackson, C.J, Hong, N.-S, Carr, P.D. | Deposit date: | 2018-03-22 | Release date: | 2018-08-01 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The evolution of multiple active site configurations in a designed enzyme. Nat Commun, 9, 2018
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5UY6
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![BU of 5uy6 by Molmil](/molmil-images/mine/5uy6) | Crystal Structure of the Human CAMKK2B | Descriptor: | 2-cyclopentyl-4-(5-phenylfuro[2,3-b]pyridin-3-yl)benzoic acid, Calcium/calmodulin-dependent protein kinase kinase 2 | Authors: | Counago, R.M, Dewry, D, Bountra, C, Arruda, P, Edwards, A.M, Gileadi, O, Structural Genomics Consortium (SGC) | Deposit date: | 2017-02-23 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Crystal Structure of the Human CAMKK2B To Be Published
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5UXD
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![BU of 5uxd by Molmil](/molmil-images/mine/5uxd) | Crystal structure of macrolide 2'-phosphotransferase MphH from Brachybacterium faecium in complex with azithromycin | Descriptor: | AZITHROMYCIN, CHLORIDE ION, Macrolide 2'-phosphotransferase MphH, ... | Authors: | Stogios, P.J, Skarina, T, Wawrzak, Z, Yim, V, Savchenko, A, Anderson, W.F, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2017-02-22 | Release date: | 2017-08-23 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | The evolution of substrate discrimination in macrolide antibiotic resistance enzymes. Nat Commun, 9, 2018
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6KEL
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![BU of 6kel by Molmil](/molmil-images/mine/6kel) | Crystal structure of Drosophila melanogaster Noppera-bo, glutathione S-transferase epsilon 14 (DmGSTE14), in apo-form | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Glutathione S-transferase E14 | Authors: | Koiwai, K, Inaba, K, Morohashi, K, Yumoto, F, Senda, T, Niwa, R. | Deposit date: | 2019-07-04 | Release date: | 2019-10-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | An integrated approach to unravel a crucial structural property required for the function of the insect steroidogenic Halloween protein Noppera-bo. J.Biol.Chem., 295, 2020
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7M23
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![BU of 7m23 by Molmil](/molmil-images/mine/7m23) | Human carbonic anhydrase II in complex with troglitazone | Descriptor: | (5R)-5-(4-{[(2R)-6-HYDROXY-2,5,7,8-TETRAMETHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL]METHOXY}BENZYL)-1,3-THIAZOLIDINE-2,4-DIONE, Carbonic anhydrase 2, ZINC ION | Authors: | Mueller, S.L, Peat, T.S. | Deposit date: | 2021-03-16 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
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7M26
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![BU of 7m26 by Molmil](/molmil-images/mine/7m26) | Human carbonic anhydrase II in complex with pioglitazone | Descriptor: | (5R)-5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione, Carbonic anhydrase 2, ZINC ION | Authors: | Mueller, S.L, Peat, T.S. | Deposit date: | 2021-03-16 | Release date: | 2022-02-02 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | The Glitazone Class of Drugs as Carbonic Anhydrase Inhibitors-A Spin-Off Discovery from Fragment Screening. Molecules, 26, 2021
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6CUN
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7M24
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![BU of 7m24 by Molmil](/molmil-images/mine/7m24) | |
7MEE
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![BU of 7mee by Molmil](/molmil-images/mine/7mee) | CDD-1 beta-lactamase in imidazole/MPD 6 minute avibactam complex | Descriptor: | (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, (4S)-2-METHYL-2,4-PENTANEDIOL, Beta-lactamase, ... | Authors: | Smith, C.A, Vakulenko, S.B. | Deposit date: | 2021-04-06 | Release date: | 2022-02-16 | Method: | X-RAY DIFFRACTION (1.88 Å) | Cite: | In Crystallo Time-Resolved Interaction of the Clostridioides difficile CDD-1 enzyme with Avibactam Provides New Insights into the Catalytic Mechanism of Class D beta-lactamases. Acs Infect Dis., 7, 2021
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