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2R6S
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BU of 2r6s by Molmil
Crystal structure of Gab protein
Descriptor: BICINE, FE (II) ION, GLYCEROL, ...
Authors:Lohkamp, B, Dobritzsch, D.
Deposit date:2007-09-06
Release date:2008-06-03
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A mixture of fortunes: the curious determination of the structure of Escherichia coli BL21 Gab protein.
Acta Crystallogr.,Sect.D, 64, 2008
2RIS
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BU of 2ris by Molmil
Crystal structure of 3,4-dihydroxy-2-butanone 4-phosphate synthase of candida albicans- alternate interpretation
Descriptor: 3,4-dihydroxy-2-butanone 4-phosphate synthase
Authors:Stenkamp, R.E, Le Trong, I.
Deposit date:2007-10-12
Release date:2008-01-29
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Alternative models for two crystal structures of Candida albicans 3,4-dihydroxy-2-butanone 4-phosphate synthase.
Acta Crystallogr.,Sect.D, 64, 2008
6UX5
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BU of 6ux5 by Molmil
Structure of acrorhagin I from the sea anemone Actinia equina
Descriptor: U-actitoxin-Aeq5a
Authors:Krishnarjuna, B, Sunanda, P, Norton, R.S.
Deposit date:2019-11-06
Release date:2020-11-18
Last modified:2024-10-23
Method:SOLUTION NMR
Cite:A disulfide-stabilised helical hairpin fold in acrorhagin I: An emerging structural motif in peptide toxins.
J.Struct.Biol., 213, 2020
2W3B
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BU of 2w3b by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND A LIPOPHILIC ANTIFOLATE SELECTIVE FOR MYCOBACTERIUM AVIUM DHFR, 6-((2,5- DIETHOXYPHENYL)AMINOMETHYL)-2,4-DIAMINO-5-METHYLPYRIDO(2,3-D) PYRIMIDINE (SRI-8686)
Descriptor: 6-{[(2,5-DIETHOXYPHENYL)AMINO]METHYL}-5-METHYLPYRIDO[2,3-D]PYRIMIDINE-2,4-DIAMINE, DIHYDROFOLATE REDUCTASE, FOLIC ACID, ...
Authors:Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
Deposit date:2008-11-11
Release date:2009-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
8C3T
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BU of 8c3t by Molmil
Structure of the GIsul2 transposon excisionase
Descriptor: AlpA family phage regulatory protein
Authors:Smyshlyaev, G, Arinkin, V, Barabas, O.
Deposit date:2022-12-28
Release date:2024-01-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Cryo-EM structures of transposon end complexes explain antibiotic resistance transfer across diverse bacteria
To Be Published
6VPB
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BU of 6vpb by Molmil
A novel membrane-bound 6-phosphogluconate dehydrogenase from the acetic acid bacteria Gluconacetobacter diazotrophicus (Gd6PGD)
Descriptor: 6-phosphogluconate dehydrogenase, DI(HYDROXYETHYL)ETHER, ISOPROPYL ALCOHOL, ...
Authors:Rodriguez-Romero, A, Rodriguez-Hernandez, A.
Deposit date:2020-02-02
Release date:2020-07-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:The structure of a novel membrane-associated 6-phosphogluconate dehydrogenase from Gluconacetobacter diazotrophicus (Gd6PGD) reveals a subfamily of short-chain 6PGDs.
Febs J., 288, 2021
6KTQ
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BU of 6ktq by Molmil
Crystal structure of catalytic domain of homocitrate synthase from Sulfolobus acidocaldarius (SaHCS(dRAM)) in complex with alpha-ketoglutarate/Zn2+/CoA
Descriptor: 2-OXOGLUTARIC ACID, COENZYME A, Homocitrate synthase, ...
Authors:Suzuki, T, Tomita, T, Kuzuyama, T, Nishiyama, M.
Deposit date:2019-08-28
Release date:2020-09-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Involvement of subdomain II in the recognition of acetyl-CoA revealed by the crystal structure of homocitrate synthase from Sulfolobus acidocaldarius.
Febs J., 288, 2021
8R0I
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BU of 8r0i by Molmil
Pseudomonas aeruginosa FabF C164A in complex with 3-amino-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)benzamide
Descriptor: 1,2-ETHANEDIOL, 3-azanyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)benzamide, 3-oxoacyl-[acyl-carrier-protein] synthase 2, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-10-31
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
4PCA
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BU of 4pca by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAH and Manganese
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
Authors:Fairman, J.W, Abendroth, J, Lorimer, D, Edwards, T.E, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-14
Release date:2014-06-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
8R1V
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BU of 8r1v by Molmil
Pseudomonas aeruginosa FabF C164A in complex with N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-(4-methoxyphenoxy)acetamide
Descriptor: 3-oxoacyl-[acyl-carrier-protein] synthase 2, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Yadrykhinsky, V, Brenk, R.
Deposit date:2023-11-02
Release date:2024-03-06
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.087 Å)
Cite:Design, quality and validation of the EU-OPENSCREEN fragment library poised to a high-throughput screening collection.
Rsc Med Chem, 15, 2024
5MJG
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BU of 5mjg by Molmil
Single-shot pink beam serial crystallography: Thaumatin
Descriptor: S,R MESO-TARTARIC ACID, SODIUM ION, Thaumatin-1
Authors:Meents, A, Oberthuer, D, Lieske, J, Srajer, V.
Deposit date:2016-12-01
Release date:2017-12-20
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Single-shot pink beam serial crystallography: Thaumatin
To Be Published
2W3A
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BU of 2w3a by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND TRIMETHOPRIM
Descriptor: DIHYDROFOLATE REDUCTASE, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
Deposit date:2008-11-10
Release date:2009-11-17
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published
5DOW
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BU of 5dow by Molmil
Solution of the Variably-Twinned Structure of a Novel Calmodulin-Peptide Complex in a Novel Configuration
Descriptor: CALCIUM ION, CHLORIDE ION, Calmodulin, ...
Authors:Keller, J.P.
Deposit date:2015-09-11
Release date:2016-08-10
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Solution of the structure of a calmodulin-peptide complex in a novel configuration from a variably twinned data set.
Acta Crystallogr D Struct Biol, 73, 2017
4PCL
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BU of 4pcl by Molmil
X-ray crystal structure of an O-methyltransferase from Anaplasma phagocytophilum bound to SAM and a Manganese ion.
Descriptor: 1,2-ETHANEDIOL, MANGANESE (II) ION, O-methyltransferase family protein, ...
Authors:Fairman, J.W, Edwards, T.E, Lorimer, D, Seattle Structural Genomics Center for Infectious Disease (SSGCID)
Deposit date:2014-04-15
Release date:2014-06-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:An O-Methyltransferase Is Required for Infection of Tick Cells by Anaplasma phagocytophilum.
Plos Pathog., 11, 2015
8DTA
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BU of 8dta by Molmil
Metal sensitive GFP (mseGFP) complexed with phenylarsine oxide.
Descriptor: CALCIUM ION, DI(HYDROXYETHYL)ETHER, Green fluorescent protein, ...
Authors:Rosenbaum, J.C, Carlson, A.E.
Deposit date:2022-07-25
Release date:2023-07-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Glutathione modulates metal binding to proteins.
TBD
6MBE
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BU of 6mbe by Molmil
Human Mcl-1 in complex with the designed peptide dM7
Descriptor: CHLORIDE ION, Induced myeloid leukemia cell differentiation protein Mcl-1, dM7
Authors:Jenson, J.M, Keating, A.E.
Deposit date:2018-08-29
Release date:2019-03-06
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Tertiary Structural Motif Sequence Statistics Enable Facile Prediction and Design of Peptides that Bind Anti-apoptotic Bfl-1 and Mcl-1.
Structure, 27, 2019
9PF2
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BU of 9pf2 by Molmil
NSF, substrate free, hydrolyzing, class 25
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ...
Authors:White, K.I, Brunger, A.T.
Deposit date:2025-07-03
Release date:2025-10-08
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Structural remodeling of target-SNARE protein complexes by NSF enables synaptic transmission.
Nat Commun, 16, 2025
9PFF
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BU of 9pff by Molmil
Min22bin20S complex (NSF-alphaSNAP-2:2 syntaxin-1a H3:SNAP-25 SN1), non-hydrolyzing, class 27
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Alpha-soluble NSF attachment protein, ...
Authors:White, K.I, Brunger, A.T.
Deposit date:2025-07-04
Release date:2025-08-06
Last modified:2025-10-08
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural remodeling of target-SNARE protein complexes by NSF enables synaptic transmission.
Nat Commun, 16, 2025
9PFG
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BU of 9pfg by Molmil
Min22bin20S complex (NSF-alphaSNAP-2:2 syntaxin-1a H3:SNAP-25 SN1), 4:2:2 alphaSNAP-syntaxin-1a H3-SNAP-25 SN1 subcomplex local refinement, non-hydrolyzing, class 28
Descriptor: Alpha-soluble NSF attachment protein, Synaptosomal-associated protein 25, Syntaxin-1A, ...
Authors:White, K.I, Brunger, A.T.
Deposit date:2025-07-04
Release date:2025-08-06
Last modified:2025-10-08
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Structural remodeling of target-SNARE protein complexes by NSF enables synaptic transmission.
Nat Commun, 16, 2025
6Q2F
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BU of 6q2f by Molmil
Structure of Rhamnosidase from Novosphingobium sp. PP1Y
Descriptor: Glycoside hydrolase family protein, SODIUM ION
Authors:Terry, B, Ha, J, Izzo, V, Sazinsky, M.H.
Deposit date:2019-08-07
Release date:2019-11-27
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.20000076 Å)
Cite:The crystal structure and insight into the substrate specificity of the alpha-L rhamnosidase RHA-P from Novosphingobium sp. PP1Y.
Arch.Biochem.Biophys., 679, 2019
6GIM
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BU of 6gim by Molmil
Structure of the DNA duplex d(AAATTT)2 with [N-(3-chloro-4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)-4-((4,5-dihydro-1H-imidazol-2- yl)amino)benzamide] - (drug JNI18)
Descriptor: DNA (5'-D(*AP*AP*AP*TP*TP*T)-3'), MAGNESIUM ION, [4-[(3-chloranyl-4-imidazolidin-2-ylideneazaniumyl-phenyl)carbamoyl]phenyl]-imidazolidin-2-ylidene-azanium
Authors:Millan, C.R, Dardonvile, C, de Koning, H.P, Saperas, N, Campos, J.L.
Deposit date:2018-05-14
Release date:2018-08-08
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Functional and structural analysis of AT-specific minor groove binders that disrupt DNA-protein interactions and cause disintegration of the Trypanosoma brucei kinetoplast.
Nucleic Acids Res., 45, 2017
6DXQ
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BU of 6dxq by Molmil
Crystal structure of the LigJ Hydratase product complex with 4-carboxy-4-hydroxy-2-oxoadipate
Descriptor: (2S)-2-hydroxy-4-oxobutane-1,2,4-tricarboxylic acid, 4-oxalomesaconate hydratase, ZINC ION
Authors:Mabanglo, M.F, Raushel, F.M.
Deposit date:2018-06-29
Release date:2018-09-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Structure and Reaction Mechanism of the LigJ Hydratase: An Enzyme Critical for the Bacterial Degradation of Lignin in the Protocatechuate 4,5-Cleavage Pathway.
Biochemistry, 57, 2018
6H3H
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BU of 6h3h by Molmil
Fab fragment of antibody against fullerene C60
Descriptor: Anti-fullerene antibody Fab fragment Heavy chain, Anti-fullerene antibody Fab fragment Light chain, GLYCEROL, ...
Authors:Osipov, E.M, Tikhonova, T.V.
Deposit date:2018-07-18
Release date:2019-05-15
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structure of the Anti-C60 Fullerene Antibody Fab Fragment: Structural Determinants of Fullerene Binding.
Acta Naturae, 11, 2019
6PW8
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BU of 6pw8 by Molmil
Hydrocarbon-Stapled Paxillin Peptide Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
Descriptor: CHLORIDE ION, Focal adhesion kinase 1, SP3, ...
Authors:Thifault, D.G, Fromme, P, Martin-Garcia, J.M.
Deposit date:2019-07-22
Release date:2020-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Stapled Peptide Ligand Bound to the Focal Adhesion Targeting (FAT) Domain of the Focal Adhesion Kinase (FAK)
To Be Published
2W3M
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BU of 2w3m by Molmil
HUMAN DIHYDROFOLATE REDUCTASE COMPLEXED WITH NADPH AND FOLATE
Descriptor: DIHYDROFOLATE REDUCTASE, FOLIC ACID, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Leung, A.K.W, Reynolds, R.C, Borhani, D.W.
Deposit date:2008-11-13
Release date:2009-11-17
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structural Basis for Selective Inhibition of Mycobacterium Avium Dihydrofolate Reductase by a Lipophilic Antifolate
To be Published

245663

数据于2025-12-03公开中

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