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5UYO
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BU of 5uyo by Molmil
Solution NMR structure of the de novo mini protein HEEH_rd4_0097
分子名称: HEEH_rd4_0097
著者Lemak, A, Rocklin, G.J, Houliston, S, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-24
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
5UP5
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BU of 5up5 by Molmil
Solution structure of the de novo mini protein EHEE_rd1_0284
分子名称: EHEE_rd1_0284
著者Houliston, S, Rocklin, G.J, Lemak, A, Carter, L, Chidyausiku, T.M, Baker, D, Arrowsmith, C.H.
登録日2017-02-01
公開日2017-07-26
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Global analysis of protein folding using massively parallel design, synthesis, and testing.
Science, 357, 2017
6XMF
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BU of 6xmf by Molmil
Cryo-EM structure of Cas12g binary complex
分子名称: CRISPR-Cas, RNA (116-MER), ZINC ION
著者Chang, L, Li, Z, Zhang, H.
登録日2020-06-30
公開日2021-01-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.1 Å)
主引用文献Cryo-EM structure of the RNA-guided ribonuclease Cas12g.
Nat.Chem.Biol., 17, 2021
6XMG
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BU of 6xmg by Molmil
Cryo-EM structure of Cas12g ternary complex
分子名称: CRISPR-Cas, RNA (130-MER), RNA (5'-R(P*UP*UP*AP*AP*UP*GP*CP*GP*GP*UP*AP*GP*UP*UP*UP*AP*UP*CP*AP*CP*AP*GP*UP*U)-3'), ...
著者Chang, L, Li, Z, Zhang, H.
登録日2020-06-30
公開日2021-01-13
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (4.8 Å)
主引用文献Cryo-EM structure of the RNA-guided ribonuclease Cas12g.
Nat.Chem.Biol., 17, 2021
8HRD
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BU of 8hrd by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant in complex with IMCAS74 Fab and W14 Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, IMCAS74 Fab heavy chain, IMCAS74 Fab light chain, ...
著者Zhao, R.C, Wu, L.L, Han, P.
登録日2022-12-15
公開日2023-12-20
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
6ITY
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BU of 6ity by Molmil
CTX-M-64 sulbactam complex
分子名称: ACRYLIC ACID, Beta-lactamase, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-11-26
公開日2019-10-30
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2B
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BU of 6j2b by Molmil
CTX-M-64 beta-lactamase S130T sulbactam complex
分子名称: Beta-lactamase, GLYCEROL, TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
著者Cheng, Q, Chen, S.
登録日2018-12-31
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.44 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J2O
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BU of 6j2o by Molmil
Crystal structure of CTX-M-64 clavulanic acid complex
分子名称: (2E)-3-[(4-hydroxy-2-oxobutyl)amino]prop-2-enal, Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2019-01-02
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
6J25
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BU of 6j25 by Molmil
CTX-M-64 beta-lactamase mutant-S130T
分子名称: Beta-lactamase
著者Cheng, Q, Chen, S.
登録日2018-12-30
公開日2019-10-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural Insight into the Mechanism of Inhibitor Resistance in CTX-M-199, a CTX-M-64 Variant Carrying the S130T Substitution.
Acs Infect Dis., 6, 2020
1JL4
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BU of 1jl4 by Molmil
CRYSTAL STRUCTURE OF THE HUMAN CD4 N-TERMINAL TWO DOMAIN FRAGMENT COMPLEXED TO A CLASS II MHC MOLECULE
分子名称: H-2 CLASS II HISTOCOMPATIBILITY ANTIGEN, A-K ALPHA CHAIN, A-K BETA CHAIN, ...
著者Wang, J.-H, Meijers, R, Reinherz, E.L.
登録日2001-07-15
公開日2001-09-19
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (4.3 Å)
主引用文献Crystal structure of the human CD4 N-terminal two-domain fragment complexed to a class II MHC molecule.
Proc.Natl.Acad.Sci.USA, 98, 2001
6PCI
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BU of 6pci by Molmil
EBOV GPdMuc (Makona) in complex with rEBOV-520 and rEBOV-548 Fabs
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Virion spike glycoprotein, Virion spike glycoprotein,Virion spike glycoprotein,Ebola Virus (Makona) GP2, ...
著者Ward, A.B, Murin, C.D, Alkutkar, T.
登録日2019-06-17
公開日2020-03-11
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (4.12 Å)
主引用文献Analysis of a Therapeutic Antibody Cocktail Reveals Determinants for Cooperative and Broad Ebolavirus Neutralization.
Immunity, 52, 2020
6IWI
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BU of 6iwi by Molmil
Crystal structure of PDE5A in complex with a novel inhibitor
分子名称: MAGNESIUM ION, N-[3-(4,5-diethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-4-propoxyphenyl]-2-(4-methylpiperazin-1-yl)acetamide, ZINC ION, ...
著者Zhang, X.L, Xu, Y.C.
登録日2018-12-05
公開日2019-12-11
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.155 Å)
主引用文献Pharmacokinetics-Driven Optimization of 4(3 H)-Pyrimidinones as Phosphodiesterase Type 5 Inhibitors Leading to TPN171, a Clinical Candidate for the Treatment of Pulmonary Arterial Hypertension.
J.Med.Chem., 62, 2019
4RAK
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BU of 4rak by Molmil
Crystal structure of nuclear receptor subfamily 1, group h, member 2 (lxrb) complexed with partial agonist
分子名称: 1,4-BUTANEDIOL, 2-{2-[2-(2-chlorophenyl)propan-2-yl]-1-[3'-(methylsulfonyl)biphenyl-4-yl]-1H-imidazol-4-yl}propan-2-ol, Oxysterols receptor LXR-beta
著者Nanao, M.
登録日2014-09-10
公開日2014-12-31
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Liver X Receptor (LXR) partial agonists: Biaryl pyrazoles and imidazoles displaying a preference for LXR beta.
Bioorg.Med.Chem.Lett., 25, 2015
6PE8
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BU of 6pe8 by Molmil
Crystal structure of CD40/ABBV-323 FAB complex
分子名称: FAB Heavy chain, FAB Light chain, SULFATE ION, ...
著者Argiriadi, M.A.
登録日2019-06-20
公開日2019-08-14
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.84 Å)
主引用文献CD40/anti-CD40 antibody complexes which illustrate agonist and antagonist structural switches.
BMC Mol Cell Biol, 20, 2019
7WBQ
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BU of 7wbq by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Delta variant spike glycoprotein in complex with its receptor human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.34 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
7WBP
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BU of 7wbp by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Omicron variant spike glycoprotein in complex with its receptor human ACE2
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
著者Qi, J, Han, P.
登録日2021-12-17
公開日2022-01-19
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
5ULA
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BU of 5ula by Molmil
Crystal Structure of the First Bromodomain of Human BRD4 in Complex With Cyclic Vinylogous Amide Inhibitor MS402
分子名称: 3-chloranyl-~{N}-(4-methoxyphenyl)-4-[(2-methyl-3-oxidanylidene-cyclopenten-1-yl)amino]benzamide, Bromodomain-containing protein 4
著者Plotnikov, A.N, Joshua, j, Zhou, M.-M.
登録日2017-01-24
公開日2017-03-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献BET N-terminal bromodomain inhibition selectively blocks Th17 cell differentiation and ameliorates colitis in mice.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6IND
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BU of 6ind by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-24
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.872 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
8UTK
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BU of 8utk by Molmil
IL-23R minibinder - 23R-B04dslf02IB
分子名称: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE, 23R-B04dslf02IB, ...
著者Bera, A.K, Berger, S.A, Kang, A, Baker, D.
登録日2023-10-31
公開日2024-07-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Preclinical proof of principle for orally delivered Th17 antagonist miniproteins.
Cell, 2024
6IMO
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BU of 6imo by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IM6
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BU of 6im6 by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IMT
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BU of 6imt by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: (1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, 1,2-ETHANEDIOL, MAGNESIUM ION, ...
著者Zhang, X.L, Su, H.X, Xu, Y.C.
登録日2018-10-23
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.483 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
7WBL
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BU of 7wbl by Molmil
Cryo-EM structure of human ACE2 complexed with SARS-CoV-2 Omicron RBD
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
著者Liu, S, Gao, F.G.
登録日2021-12-17
公開日2022-01-19
最終更新日2022-03-02
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Receptor binding and complex structures of human ACE2 to spike RBD from omicron and delta SARS-CoV-2.
Cell, 185, 2022
6IMD
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BU of 6imd by Molmil
Crystal structure of PDE4D complexed with a novel inhibitor
分子名称: 1,2-ETHANEDIOL, 6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde, MAGNESIUM ION, ...
著者Zhang, X, Su, H, Xu, Y.
登録日2018-10-22
公開日2019-10-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.499 Å)
主引用文献Structure-Aided Identification and Optimization of Tetrahydro-isoquinolines as Novel PDE4 Inhibitors Leading to Discovery of an Effective Antipsoriasis Agent.
J.Med.Chem., 62, 2019
6IE1
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BU of 6ie1 by Molmil
Crystal Structure of ELMO2(Engulfment and cell motility protein 2)
分子名称: Engulfment and cell motility protein 2, GLYCEROL
著者Weng, Z.F, Lin, L, Zhang, R.G, Zhu, J.W.
登録日2018-09-12
公開日2019-01-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Structure of BAI1/ELMO2 complex reveals an action mechanism of adhesion GPCRs via ELMO family scaffolds
Nat Commun, 10, 2019

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