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1E65
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BU of 1e65 by Molmil
Azurin from Pseudomonas aeruginosa, apo form
Descriptor: AZURIN
Authors:Nar, H, Messerschmidt, A.
Deposit date:2000-08-08
Release date:2000-08-16
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal Structure of Pseudomonas Aeruginosa Apo-Azurin at 1.85 A Resolution.
FEBS Lett., 306, 1992
7UMW
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BU of 7umw by Molmil
Crystal structure of E. Coli FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)
Descriptor: (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH] FabI, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Hajian, B.
Deposit date:2022-04-08
Release date:2022-12-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
6Z45
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BU of 6z45 by Molmil
CDK9-Cyclin-T1 complex bound by compound 24
Descriptor: (1~{S},3~{R})-3-acetamido-~{N}-[5-chloranyl-4-(5,5-dimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl)pyridin-2-yl]cyclohexane-1-carboxamide, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cyclin-T1, ...
Authors:Ferguson, A, Collie, G.W.
Deposit date:2020-05-22
Release date:2020-12-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (3.37 Å)
Cite:Discovery of AZD4573, a Potent and Selective Inhibitor of CDK9 That Enables Short Duration of Target Engagement for the Treatment of Hematological Malignancies.
J.Med.Chem., 63, 2020
6CZG
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BU of 6czg by Molmil
Structure of a redesigned beta barrel, b11L5F_LGL
Descriptor: b11L5F_LGL
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
6CZJ
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BU of 6czj by Molmil
Structure of a redesigned beta barrel, b10
Descriptor: SULFATE ION, b10
Authors:Doyle, L.A, Stoddard, B.L.
Deposit date:2018-04-09
Release date:2018-09-19
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:De novo design of a fluorescence-activating beta-barrel.
Nature, 561, 2018
5T87
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BU of 5t87 by Molmil
Crystal structure of CDI complex from Cupriavidus taiwanensis LMG 19424
Descriptor: CdiA toxin, CdiI immunity protein
Authors:Michalska, K, Joachimiak, G, Jedrzejczak, R, Hayes, C.S, Goulding, C.W, Joachimiak, A, Structure-Function Analysis of Polymorphic CDI Toxin-Immunity Protein Complexes (UC4CDI), Midwest Center for Structural Genomics (MCSG)
Deposit date:2016-09-06
Release date:2017-09-13
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Target highlights from the first post-PSI CASP experiment (CASP12, May-August 2016).
Proteins, 86 Suppl 1, 2018
8CZJ
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BU of 8czj by Molmil
A bacteria Zrt/Irt-like protein in the apo state
Descriptor: Putative membrane protein, SULFATE ION, [(Z)-octadec-9-enyl] (2R)-2,3-bis(oxidanyl)propanoate
Authors:Zhang, Y, Hu, J.
Deposit date:2022-05-24
Release date:2023-02-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Structural insights into the elevator-type transport mechanism of a bacterial ZIP metal transporter.
Nat Commun, 14, 2023
5MR2
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BU of 5mr2 by Molmil
Crystal structure of red abalone VERL repeat 2 with linker at 2.5 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Vitelline envelope sperm lysin receptor
Authors:Sadat Al-Hosseini, H, Raj, I, Nishimura, K, De Sanctis, D, Jovine, L.
Deposit date:2016-12-21
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
6JIU
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BU of 6jiu by Molmil
Structure of RyR2 (F/A/C/L-Ca2+/Ca2+CaM dataset)
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CAFFEINE, CALCIUM ION, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-23
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
5MR3
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BU of 5mr3 by Molmil
Crystal structure of red abalone egg VERL repeat 2 with linker in complex with sperm lysin at 1.8 A resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Egg-lysin, ...
Authors:Nishimura, K, Raj, I, Sadat Al-Hosseini, H, De Sanctis, D, Jovine, L.
Deposit date:2016-12-21
Release date:2017-06-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis of Egg Coat-Sperm Recognition at Fertilization.
Cell, 169, 2017
6JI8
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BU of 6ji8 by Molmil
Structure of RyR2 (F/apoCaM dataset)
Descriptor: Calmodulin-1, Peptidyl-prolyl cis-trans isomerase FKBP1B, RyR2, ...
Authors:Gong, D.S, Chi, X.M, Zhou, G.W, Huang, G.X.Y, Lei, J.L, Yan, N.
Deposit date:2019-02-20
Release date:2019-07-17
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Modulation of cardiac ryanodine receptor 2 by calmodulin.
Nature, 572, 2019
8ENI
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BU of 8eni by Molmil
Crystal structure of Staphylococcus aureus biotin protein ligase in complex with inhibitor
Descriptor: 3-[4-(5-fluoro-4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)butyl]-5-methyl-1,3-benzoxazol-2(3H)-one, Bifunctional ligase/repressor BirA
Authors:Wilce, M.C.J, Cini, D.A.
Deposit date:2022-09-30
Release date:2022-11-30
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Halogenation of Biotin Protein Ligase Inhibitors Improves Whole Cell Activity against Staphylococcus aureus.
ACS Infect Dis, 4, 2018
8FFX
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BU of 8ffx by Molmil
Crystal structure of HIV-1 reverse transcriptase in complex with non-nucleoside inhibitor 19980
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Reverse transcriptase/ribonuclease H, ...
Authors:Rumrill, S.R, Ruiz, F.X, Arnold, E.
Deposit date:2022-12-10
Release date:2023-04-26
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Targeting HIV-1 Reverse Transcriptase Using a Fragment-Based Approach.
Molecules, 28, 2023
6T1B
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BU of 6t1b by Molmil
Crystal structure of YlmD from Geobacillus stearothermophilus in complex with inosine
Descriptor: INOSINE, YlmD, ZINC ION
Authors:Reikine, S, Modis, Y.
Deposit date:2019-10-03
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:FAMIN Is a Multifunctional Purine Enzyme Enabling the Purine Nucleotide Cycle.
Cell, 180, 2020
6ST3
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BU of 6st3 by Molmil
HIF prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 4-hydroxy-N-(4-phenoxybenzyl)-2-(1H-pyrazol-1-yl)pyrimidine-5-carboxamide
Descriptor: 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide, Egl nine homolog 1, FORMIC ACID, ...
Authors:Chowdhury, R, Holt-Martyn, J.P, Schofield, C.J.
Deposit date:2019-09-10
Release date:2019-12-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Structure-Activity Relationship and Crystallographic Studies on 4-Hydroxypyrimidine HIF Prolyl Hydroxylase Domain Inhibitors.
Chemmedchem, 15, 2020
6T0Y
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BU of 6t0y by Molmil
Crystal structure of YlmD from Geobacillus stearothermophilus
Descriptor: Polyphenol oxidase, ZINC ION
Authors:Reikine, S, Modis, Y.
Deposit date:2019-10-03
Release date:2020-01-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:FAMIN Is a Multifunctional Purine Enzyme Enabling the Purine Nucleotide Cycle.
Cell, 180, 2020
5AZU
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BU of 5azu by Molmil
CRYSTAL STRUCTURE ANALYSIS OF OXIDIZED PSEUDOMONAS AERUGINOSA AZURIN AT PH 5.5 AND PH 9.0. A PH-INDUCED CONFORMATIONAL TRANSITION INVOLVES A PEPTIDE BOND FLIP
Descriptor: AZURIN, COPPER (II) ION, NITRATE ION
Authors:Nar, H, Messerschmidt, A, Huber, R.
Deposit date:1993-06-23
Release date:1994-01-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure analysis of oxidized Pseudomonas aeruginosa azurin at pH 5.5 and pH 9.0. A pH-induced conformational transition involves a peptide bond flip.
J.Mol.Biol., 221, 1991
1TKX
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BU of 1tkx by Molmil
CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745
Descriptor: 4-[(CYCLOPROPYLETHYNYL)OXY]-6-FLUORO-3-ISOPROPYLQUINOLIN-2(1H)-ONE, Pol polyprotein, Reverse transcriptase, ...
Authors:Ren, J, Hopkins, A.L, Stuart, D.I, Stammers, D.K.
Deposit date:2004-06-09
Release date:2004-12-07
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.
J.Med.Chem., 47, 2004
7Y8M
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BU of 7y8m by Molmil
Structure of ScIRED-R2-V3 from Streptomyces clavuligerus in complex with 5-(3-fluorophenyl)-3,4-dihydro-2H-pyrrole
Descriptor: 2-[2,5-bis(fluoranyl)phenyl]pyrrolidine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, reductase
Authors:Zhang, L.L, Liu, W.D, Shi, M, Huang, J.W, Yang, Y, Chen, C.C, Guo, R.T.
Deposit date:2022-06-24
Release date:2023-06-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Engineered Imine Reductase for Larotrectinib Intermediate Manufacture
Acs Catalysis, 12, 2022
1K89
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BU of 1k89 by Molmil
K89L MUTANT OF GLUTAMATE DEHYDROGENASE
Descriptor: GLUTAMATE DEHYDROGENASE
Authors:Stillman, T.J, Migueis, A.M.B, Wang, X.G, Baker, P.J, Britton, K.L, Engel, P.C, Rice, D.W.
Deposit date:1998-06-05
Release date:1999-01-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Insights into the mechanism of domain closure and substrate specificity of glutamate dehydrogenase from Clostridium symbiosum.
J.Mol.Biol., 285, 1999
8AM3
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BU of 8am3 by Molmil
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 - wildtype
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, GLYCEROL, ...
Authors:Prior, S.H, Taylor, E.J.
Deposit date:2022-08-02
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Rational design of a cyclohexanone dehydrogenase for enhanced alpha , beta-desaturation and substrate specificity.
Chem Sci, 15, 2024
8AM8
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BU of 8am8 by Molmil
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate - W113A mutant
Descriptor: DI(HYDROXYETHYL)ETHER, FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, ...
Authors:Prior, S.H, Taylor, E.J.
Deposit date:2022-08-03
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Rational design of a cyclohexanone dehydrogenase for enhanced alpha , beta-desaturation and substrate specificity.
Chem Sci, 15, 2024
8AM6
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BU of 8am6 by Molmil
Cyclohexanone dehydrogenase (CDH) from Alicycliphilus denitrificans K601 complexed with dehydrogenated substrate cyclohex-2-en-1-one - inactive mutant (Y195F)
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Fumarate reductase/succinate dehydrogenase flavoprotein domain protein, GLYCEROL, ...
Authors:Prior, S.H, Taylor, E.J.
Deposit date:2022-08-02
Release date:2024-02-14
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Rational design of a cyclohexanone dehydrogenase for enhanced alpha , beta-desaturation and substrate specificity.
Chem Sci, 15, 2024
8CZO
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BU of 8czo by Molmil
Cryo-EM structure of BCL10 CARD - MALT1 DD filament
Descriptor: B-cell lymphoma/leukemia 10, Mucosa-associated lymphoid tissue lymphoma translocation protein 1
Authors:David, L, Wu, H.
Deposit date:2022-05-25
Release date:2022-06-22
Last modified:2022-08-17
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022
8CZD
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BU of 8czd by Molmil
Cryo-EM structure of BCL10 R58Q filament
Descriptor: B-cell lymphoma/leukemia 10
Authors:David, L, Wu, H.
Deposit date:2022-05-24
Release date:2022-06-22
Last modified:2024-02-14
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:BCL10 Mutations Define Distinct Dependencies Guiding Precision Therapy for DLBCL.
Cancer Discov, 12, 2022

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