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6L3A
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BU of 6l3a by Molmil
Cytochrome P450 107G1 (RapN) with everolimus
Descriptor: Cytochrome P450, Everolimus, PROTOPORPHYRIN IX CONTAINING FE
Authors:Km, V.C, Kim, D.H, Lim, Y.R, Lee, I.H, Lee, J.H, Kang, L.W.
Deposit date:2019-10-10
Release date:2020-09-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural insights into CYP107G1 from rapamycin-producing Streptomyces rapamycinicus.
Arch.Biochem.Biophys., 692, 2020
8DYB
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BU of 8dyb by Molmil
The crystal structure of the T252A mutant of CYP199A4 bound to 4-methylthiobenzoic acid
Descriptor: 4-methylsulfanylbenzoic acid, Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Coleman, T, Bell, S.G.
Deposit date:2022-08-03
Release date:2023-01-04
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Investigating the Active Oxidants Involved in Cytochrome P450 Catalyzed Sulfoxidation Reactions.
Chemistry, 28, 2022
8DW8
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BU of 8dw8 by Molmil
Host-guest structure of BLMA2 partially bound to 5'-ATTAGTTATAACTAAT-3'
Descriptor: BLEOMYCIN A2, DNA (5'-D(*AP*TP*TP*AP*GP*TP*TP*A)-3'), DNA (5'-D(P*TP*AP*AP*CP*TP*AP*AP*T)-3'), ...
Authors:Georgiadis, M.M.
Deposit date:2022-07-31
Release date:2023-01-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Two distinct rotations of bithiazole DNA intercalation revealed by direct comparison of crystal structures of Co(III)•bleomycin A 2 and B 2 bound to duplex 5'-TAGTT sites.
Bioorg.Med.Chem., 77, 2023
5KGE
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BU of 5kge by Molmil
Crystal structure of PIM1 with inhibitor: 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine
Descriptor: 1,2-ETHANEDIOL, 5-(3,4-dichlorophenyl)-1~{H}-pyrazol-3-amine, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
8DSR
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BU of 8dsr by Molmil
Structure of Plasmepsin X (PM10, PMX) from Plasmodium falciparum 3D7 in complex with UCB7362
Descriptor: (2E,6S)-6-{2-chloro-3-[(2-cyclopropylpyrimidin-5-yl)amino]phenyl}-2-imino-6-methyl-3-[(2S,4S)-2-methyloxan-4-yl]-1,3-diazinan-4-one, Plasmepsin X
Authors:Abendroth, J, Lorimer, D.D.
Deposit date:2022-07-22
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X Inhibitors and Preclinical Safety Assessment of UCB7362 .
J.Med.Chem., 65, 2022
6AGP
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BU of 6agp by Molmil
Structure of Rac1 in the low-affinity state for Mg2+
Descriptor: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Ras-related C3 botulinum toxin substrate 1
Authors:Toyama, Y, Kontani, K, Katada, T, Shimada, I.
Deposit date:2018-08-13
Release date:2019-03-20
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Conformational landscape alternations promote oncogenic activities of Ras-related C3 botulinum toxin substrate 1 as revealed by NMR.
Sci Adv, 5, 2019
5KHG
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BU of 5khg by Molmil
HCN2 CNBD in complex with cytidine-3', 5'-cyclic monophosphate (cCMP)
Descriptor: 4-amino-1-[(2S,4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxidotetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]pyrimidin-2(1H)-one, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2
Authors:Ng, L.C.T, Putrenko, I, Baronas, V, Van Petegem, F, Accili, E.A.
Deposit date:2016-06-14
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.241 Å)
Cite:Cyclic Purine and Pyrimidine Nucleotides Bind to the HCN2 Ion Channel and Variably Promote C-Terminal Domain Interactions and Opening.
Structure, 24, 2016
5KID
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BU of 5kid by Molmil
Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications
Descriptor: CHLORIDE ION, GLYCEROL, N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide), ...
Authors:Rupert, P.B, Strong, R.K.
Deposit date:2016-06-16
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms.
Inorg Chem, 55, 2016
6LJS
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BU of 6ljs by Molmil
Crystal structure of human FABP4 in complex with a novel inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-[(2-phenylphenyl)amino]benzoic acid, Fatty acid-binding protein, ...
Authors:Su, H.X, Zhang, X.L, Li, M.J, Xu, Y.C.
Deposit date:2019-12-17
Release date:2020-04-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Exploration of Fragment Binding Poses Leading to Efficient Discovery of Highly Potent and Orally Effective Inhibitors of FABP4 for Anti-inflammation.
J.Med.Chem., 63, 2020
7UPM
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BU of 7upm by Molmil
Tribbles (TRIB2) pseudokinase bound to nanobody Nb4.103
Descriptor: Nb4.103 Nanobody, Tribbles homolog 2
Authors:Jamieson, S.A, Mace, P.D.
Deposit date:2022-04-15
Release date:2022-09-14
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies identify an activated state of the TRIB2 pseudokinase.
Structure, 30, 2022
6L8I
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BU of 6l8i by Molmil
Crystal structure of CYP97A3 mutant S290D/W300L/S304V
Descriptor: PROTOPORPHYRIN IX CONTAINING FE, Protein LUTEIN DEFICIENT 5, chloroplastic
Authors:Niu, G, Guo, Q, Liu, L.
Deposit date:2019-11-06
Release date:2020-06-10
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for plant lutein biosynthesis from alpha-carotene.
Proc.Natl.Acad.Sci.USA, 117, 2020
5K7S
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BU of 5k7s by Molmil
MicroED structure of proteinase K at 1.6 A resolution
Descriptor: CALCIUM ION, Proteinase K
Authors:de la Cruz, M.J, Hattne, J, Shi, D, Seidler, P, Rodriguez, J, Reyes, F.E, Sawaya, M.R, Cascio, D, Eisenberg, D, Gonen, T.
Deposit date:2016-05-26
Release date:2017-04-05
Last modified:2018-08-22
Method:ELECTRON CRYSTALLOGRAPHY (1.6 Å)
Cite:Atomic-resolution structures from fragmented protein crystals with the cryoEM method MicroED.
Nat. Methods, 14, 2017
5K8Y
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BU of 5k8y by Molmil
Structure of the Mus musclus Langerin carbohydrate recognition domain
Descriptor: C-type lectin domain family 4 member K, CALCIUM ION, GLYCEROL, ...
Authors:Loll, B, Aretz, J, Rademacher, C, Wahl, M.C.
Deposit date:2016-05-31
Release date:2016-12-07
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacterial Polysaccharide Specificity of the Pattern Recognition Receptor Langerin Is Highly Species-dependent.
J. Biol. Chem., 292, 2017
8JOH
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BU of 8joh by Molmil
structure of Echinococcus multilocularis Cystatin B
Descriptor: Cystatin B Stefin B
Authors:Huang, S.Q, Hong, W.B.
Deposit date:2023-06-07
Release date:2024-06-12
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Crystal Structure of Echinococcus multilocularis Cystatin B
To Be Published
8E3D
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BU of 8e3d by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#11)
Descriptor: 1,2-ETHANEDIOL, DNA (5'-D(*AP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*AP*AP*CP*C)-3'), DNA (5'-D(P*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*AP*T)-3'), ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
7MDP
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BU of 7mdp by Molmil
KRas G12C in complex with G-2897
Descriptor: 1,2-ETHANEDIOL, 2,5,8,11,14,17-HEXAOXANONADECAN-19-OL, 4-(trifluoromethyl)-1,3-benzothiazol-2-amine, ...
Authors:Oh, A, Frank, Y, Wang, W.
Deposit date:2021-04-05
Release date:2022-03-16
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Conformation-locking antibodies for the discovery and characterization of KRAS inhibitors.
Nat.Biotechnol., 40, 2022
8DTN
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BU of 8dtn by Molmil
The complex of nanobody 6101 with BCL11A ZF6
Descriptor: B-cell lymphoma/leukemia 11A, MAGNESIUM ION, Nanobody 6101, ...
Authors:Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H.
Deposit date:2022-07-26
Release date:2023-02-01
Method:X-RAY DIFFRACTION (2.199 Å)
Cite:Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JUP
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BU of 8jup by Molmil
Crystal structure of a receptor like kinase from rice
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, LRR receptor-like serine/threonine-protein kinase FLS2, MAGNESIUM ION
Authors:Ming, Z, Zhao, Q.
Deposit date:2023-06-27
Release date:2024-01-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:An Active State Formation Mechanism of Receptor Kinase in Plant
Plant Commun., 2024
5KGI
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BU of 5kgi by Molmil
Crystal structure of PIM1 with inhibitor 2-[3,4-bis(chloranyl)phenoxy]ethanamine
Descriptor: 1,2-ETHANEDIOL, 2-[3,4-bis(chloranyl)phenoxy]ethanamine, SULFATE ION, ...
Authors:Ferguson, A.D.
Deposit date:2016-06-13
Release date:2017-08-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.13 Å)
Cite:Structure of PIM1 in complex with inhibitor
To Be Published
6KRC
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BU of 6krc by Molmil
An X-ray structure of ferric F43Y/F46S sperm whale myoglobin
Descriptor: Myoglobin, PROTOPORPHYRIN IX CONTAINING FE
Authors:Yuan, H, Lin, Y.W.
Deposit date:2019-08-21
Release date:2020-07-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A Catalytic Binding Site Together with a Distal Tyr in MyoglobinAffords Catalytic Efficiencies Similar to Natural Peroxidases.
Acs Catalysis, 10, 2020
8E3E
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BU of 8e3e by Molmil
ZBTB7A Zinc Finger Domain Bound to DNA Duplex Containing CAST sequence (#10)
Descriptor: DNA (5'-D(*CP*TP*TP*TP*GP*GP*GP*GP*AP*GP*GP*GP*GP*TP*CP*TP*TP*TP*TP*AP*C)-3'), DNA (5'-D(*GP*GP*TP*AP*AP*AP*AP*GP*AP*CP*CP*CP*CP*TP*CP*CP*CP*CP*AP*AP*A)-3'), ZINC ION, ...
Authors:Horton, J.R, Ren, R, Cheng, X.
Deposit date:2022-08-17
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis for transcription factor ZBTB7A recognition of DNA and effects of ZBTB7A somatic mutations that occur in human acute myeloid leukemia.
J.Biol.Chem., 299, 2023
8DTU
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BU of 8dtu by Molmil
The complex of nanobody 5344N74D with BCL11A ZF6.
Descriptor: B-cell lymphoma/leukemia 11A, Nanobody 5344N74D, ZINC ION
Authors:Yin, M, Tenglin, K, Zhai, L, Dassama, L.M, Orkin, S.H.
Deposit date:2022-07-26
Release date:2023-02-01
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Evolution of nanobodies specific for BCL11A.
Proc.Natl.Acad.Sci.USA, 120, 2023
5KHP
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BU of 5khp by Molmil
Tightening the Recognition of Tetravalent Zr and Th Complexes by the Siderophore-Binding Mammalian Protein Siderocalin for Theranostic Applications
Descriptor: GLYCEROL, N,N'-(butane-1,4-diyl)bis(N-{3-[(2,3-dihydroxybenzene-1-carbonyl)amino]propyl}-2,3-dihydroxybenzamide), Neutrophil gelatinase-associated lipocalin, ...
Authors:Rupert, P.B, Strong, R.K.
Deposit date:2016-06-15
Release date:2017-04-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Engineered Recognition of Tetravalent Zirconium and Thorium by Chelator-Protein Systems: Toward Flexible Radiotherapy and Imaging Platforms.
Inorg Chem, 55, 2016
8LPR
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BU of 8lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
6KYE
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BU of 6kye by Molmil
The crystal structure of recombinant human adult hemoglobin
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Kihira, K, Funaki, R, Okamoto, W, Endo, C, Morita, Y, Komatsu, T.
Deposit date:2019-09-18
Release date:2020-01-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Genetically engineered haemoglobin wrapped covalently with human serum albumins as an artificial O2carrier.
J Mater Chem B, 8, 2020

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數據於2024-09-11公開中

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