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5INN
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Mouse Tdp2 D358N protein, apo state with increased disorder amongst variable DNA-binding grasp conformations
分子名称: CHLORIDE ION, GLYCEROL, SULFATE ION, ...
著者Schellenberg, M.J, Appel, C.D, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5IQK
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BU of 5iqk by Molmil
Rm3 metallo-beta-lactamase
分子名称: ZINC ION, beta-lactamase Rm3
著者Salimraj, R, Spencer, J.
登録日2016-03-10
公開日2016-03-23
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural and Biochemical Characterization of Rm3, a Subclass B3 Metallo-beta-Lactamase Identified from a Functional Metagenomic Study.
Antimicrob.Agents Chemother., 60, 2016
5IEV
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BU of 5iev by Molmil
Crystal structure of BAY 1000394 (Roniciclib) bound to CDK2
分子名称: Cyclin-dependent kinase 2, Roniciclib
著者Ayaz, P, Andres, D, Kwiatkowski, D.A, Kolbe, C, Lienau, P, Siemeister, G, Luecking, U, Stegmann, C.M.
登録日2016-02-25
公開日2016-04-27
最終更新日2024-06-19
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Conformational Adaption May Explain the Slow Dissociation Kinetics of Roniciclib (BAY 1000394), a Type I CDK Inhibitor with Kinetic Selectivity for CDK2 and CDK9.
Acs Chem.Biol., 11, 2016
5INL
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BU of 5inl by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Mg2+ complex with deoxyadenosine
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, DNA (5'-D(P*AP*CP*GP*AP*AP*TP*TP*CP*G)-3'), ...
著者Schellenberg, M.J, Vilas, C.K, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.551 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5INQ
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BU of 5inq by Molmil
Mouse Tdp2 reaction product (5'-phosphorylated DNA)-Ca2+ complex
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
著者Schellenberg, M.J, Williams, R.S.
登録日2016-03-07
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Reversal of DNA damage induced Topoisomerase 2 DNA-protein crosslinks by Tdp2.
Nucleic Acids Res., 44, 2016
5IFM
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BU of 5ifm by Molmil
Human NONO (p54nrb) Homodimer
分子名称: CHLORIDE ION, GLYCEROL, Non-POU domain-containing octamer-binding protein, ...
著者Knott, G.J, Bond, C.S.
登録日2016-02-26
公開日2016-11-09
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A crystallographic study of human NONO (p54(nrb)): overcoming pathological problems with purification, data collection and noncrystallographic symmetry.
Acta Crystallogr D Struct Biol, 72, 2016
5ISZ
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BU of 5isz by Molmil
Crystal structure of LS01-TCR/M1-HLA-A*02 complex
分子名称: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
著者Stern, L.J, Selin, L.K, Song, I.
登録日2016-03-15
公開日2017-03-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Broad TCR repertoire and diverse structural solutions for recognition of an immunodominant CD8(+) T cell epitope.
Nat. Struct. Mol. Biol., 24, 2017
5I7O
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BU of 5i7o by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 7 [3-(3-(4-Chlorophenyl)ureido)benzoic acid]
分子名称: 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
著者Schnell, R, Maric, S, Schneider, G.
登録日2016-02-18
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I8U
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BU of 5i8u by Molmil
Crystal Structure of the RV1700 (MT ADPRASE) E142Q mutant
分子名称: ADP-ribose pyrophosphatase, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
著者Thirawatananond, P, Kang, L.-W, Amzel, L.M, Gabelli, S.B.
登録日2016-02-19
公開日2016-10-12
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Kinetic and mutational studies of the adenosine diphosphate ribose hydrolase from Mycobacterium tuberculosis.
J. Bioenerg. Biomembr., 48, 2016
5IRO
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BU of 5iro by Molmil
Crystal structure of a complex between the Human adenovirus type 4 E3-19K protein and MHC class molecule HLA-A2/TAX
分子名称: Beta-2-microglobulin, E3 19 kDa protein, HLA class I histocompatibility antigen, ...
著者Li, L, Bouvier, M.
登録日2016-03-14
公開日2016-08-24
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.64 Å)
主引用文献Structure of the Adenovirus Type 4 (Species E) E3-19K/HLA-A2 Complex Reveals Species-Specific Features in MHC Class I Recognition.
J Immunol., 197, 2016
5I00
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BU of 5i00 by Molmil
tRNA guanine transglycosylase (TGT) in co-crystallized complex with 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
分子名称: 1,2-ETHANEDIOL, 6-amino-4-{2-[(cyclopentylmethyl)amino]ethyl}-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one, CHLORIDE ION, ...
著者Ehrmann, F.R, Heine, A, Klebe, G.
登録日2016-02-03
公開日2017-02-15
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Co-crystallization, Isothermal titration calorimetry and nanoESI-MS reveal dimer disturbing inhibitors
To be Published
5I1L
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BU of 5i1l by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV5-51/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, GLYCEROL
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5I2C
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BU of 5i2c by Molmil
Arginine-bound CASTOR1 from Homo sapiens
分子名称: ACETATE ION, ARGININE, GATS-like protein 3
著者Saxton, R.A, Knockenhauer, K.E, Schwartz, T.U.
登録日2016-02-08
公開日2016-08-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.801 Å)
主引用文献Mechanism of arginine sensing by CASTOR1 upstream of mTORC1.
Nature, 536, 2016
5IAT
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BU of 5iat by Molmil
Mechanistic and Structural Analysis of Substrate Recognition and Cofactor Binding by an Unusual Bacterial Prolyl Hydroxylase - apo-BaP4H
分子名称: DI(HYDROXYETHYL)ETHER, GLYCEROL, Procollagen-Proline Dioxygenase
著者Schnicker, N.J, Dey, M.
登録日2016-02-21
公開日2016-04-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Bacillus anthracis Prolyl 4-Hydroxylase Modifies Collagen-like Substrates in Asymmetric Patterns.
J.Biol.Chem., 291, 2016
5IB5
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BU of 5ib5 by Molmil
Crystal structure of HLA-B*27:09 complexed with the self-peptide pVIPR and Copper
分子名称: Beta-2-microglobulin, CHLORIDE ION, COPPER (II) ION, ...
著者Janke, R, Ballaschk, M, Schmieder, P, Uchanska-Ziegler, B, Ziegler, A, Loll, B.
登録日2016-02-22
公開日2017-02-01
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.49 Å)
主引用文献Metal-triggered conformational reorientation of a self-peptide bound to a disease-associated HLA-B*27 subtype.
J.Biol.Chem., 2019
5IBI
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BU of 5ibi by Molmil
Crystal structure Mycobacterium tuberculosis CYP121 in complex with inhibitor fragment 26a
分子名称: 4,4'-(5-{[(4-hydroxyphenyl)methyl]amino}-1H-pyrazole-3,4-diyl)diphenol, Cytochrome P450 121 CYP121, PROTOPORPHYRIN IX CONTAINING FE, ...
著者Levy, C.
登録日2016-02-22
公開日2016-04-06
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Fragment-Based Approaches to the Development of Mycobacterium tuberculosis CYP121 Inhibitors.
J.Med.Chem., 59, 2016
5ID9
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BU of 5id9 by Molmil
Crystal structure of equine serum albumin in complex with phosphorodithioate derivative of myristoyl cyclic phosphatidic acid (cPA)
分子名称: (4S)-2-sulfanylidene-4-[(tetradecanoyloxy)methyl]-1,3,2lambda~5~-dioxaphospholane-2-thiolate, FORMIC ACID, MALONATE ION, ...
著者Sekula, B, Bujacz, A, Rytczak, P, Bujacz, G.
登録日2016-02-24
公開日2016-05-11
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structural evidence of the species-dependent albumin binding of the modified cyclic phosphatidic acid with cytotoxic properties.
Biosci.Rep., 36, 2016
5I17
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BU of 5i17 by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV1-69/IGKV3-20
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-06-08
最終更新日2016-08-03
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5IGQ
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BU of 5igq by Molmil
WD40 domain of Human E3 Ubiquitin Ligase COP1 (RFWD2) bound to peptide from Trib1
分子名称: E3 ubiquitin-protein ligase RFWD2, Tribbles homolog 1
著者Uljon, S, Blacklow, S.C.
登録日2016-02-28
公開日2016-04-20
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.9 Å)
主引用文献Structural Basis for Substrate Selectivity of the E3 Ligase COP1.
Structure, 24, 2016
5IPI
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BU of 5ipi by Molmil
Structure of Adeno-associated virus type 2 VLP
分子名称: Capsid protein VP1
著者Drouin, L.M, Lins, B, Janssen, M.E, Bennet, A, Chipman, P, McKenna, R, Chen, W, Muzyczka, N, Cardone, G, Baker, T.S, Agbandje-McKenna, M.
登録日2016-03-09
公開日2016-07-20
最終更新日2024-03-06
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Cryo-electron Microscopy Reconstruction and Stability Studies of the Wild Type and the R432A Variant of Adeno-associated Virus Type 2 Reveal that Capsid Structural Stability Is a Major Factor in Genome Packaging.
J.Virol., 90, 2016
5I14
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BU of 5i14 by Molmil
Truncated and mutated T4 lysozyme
分子名称: NICKEL (II) ION, mutated and truncated T4 lysozyme
著者Klima, M, Boura, E.
登録日2016-02-05
公開日2016-02-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.745 Å)
主引用文献Metal ions-binding T4 lysozyme as an intramolecular protein purification tag compatible with X-ray crystallography.
Protein Sci., 26, 2017
5I1D
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BU of 5i1d by Molmil
CRYSTAL STRUCTURE OF HUMAN GERMLINE ANTIBODY IGHV3-23/IGKV4-1
分子名称: FAB HEAVY CHAIN, FAB LIGHT CHAIN, SULFATE ION
著者Teplyakov, A, Obmolova, G, Malia, T, Luo, J, Gilliland, G.
登録日2016-02-05
公開日2016-02-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural diversity in a human antibody germline library.
Mabs, 8, 2016
5IJN
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BU of 5ijn by Molmil
Composite structure of the inner ring of the human nuclear pore complex (32 copies of Nup205)
分子名称: NUCLEAR PORE COMPLEX PROTEIN NUP155, NUCLEAR PORE COMPLEX PROTEIN NUP205, NUCLEAR PORE COMPLEX PROTEIN NUP54, ...
著者Kosinski, J, Mosalaganti, S, von Appen, A, Beck, M.
登録日2016-03-02
公開日2016-04-27
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (21.4 Å)
主引用文献Molecular architecture of the inner ring scaffold of the human nuclear pore complex.
Science, 352, 2016
5I6D
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BU of 5i6d by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 5 [3-(3-(p-Tolyl)ureido) benzoic acid]
分子名称: 3-{[(4-methylphenyl)carbamoyl]amino}benzoic acid, GLYCEROL, O-phosphoserine sulfhydrylase, ...
著者Schnell, R, Maric, S, Schneider, G.
登録日2016-02-16
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016
5I7A
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BU of 5i7a by Molmil
Mycobacterium tuberculosis CysM in complex with the Urea-scaffold inhibitor 1 [3-(3-(3,4-Dichlorophenyl)ureido)benzoic acid]
分子名称: 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid, O-phosphoserine sulfhydrylase, PYRIDOXAL-5'-PHOSPHATE
著者Schnell, R, Maric, S, Schneider, G.
登録日2016-02-17
公開日2016-08-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.08 Å)
主引用文献Inhibitors of the Cysteine Synthase CysM with Antibacterial Potency against Dormant Mycobacterium tuberculosis.
J.Med.Chem., 59, 2016

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