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5CEH
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Structure of histone lysine demethylase KDM5A in complex with selective inhibitor
分子名称: 7-oxo-5-phenyl-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile, Lysine-specific demethylase 5A, NICKEL (II) ION, ...
著者Kiefer, J.R, Vinogradova, M.
登録日2015-07-06
公開日2016-05-18
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.14 Å)
主引用文献An inhibitor of KDM5 demethylases reduces survival of drug-tolerant cancer cells.
Nat.Chem.Biol., 12, 2016
6MJZ
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BU of 6mjz by Molmil
Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174
分子名称: Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain
著者Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D.
登録日2018-09-24
公開日2018-11-14
最終更新日2019-12-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
8VPG
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BU of 8vpg by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(dimethylamino)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.05 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPI
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BU of 8vpi by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 462
分子名称: DNA Strand I, DNA Strand II, N-{3-[(2-amino-6-methylpyrimidin-4-yl)amino]-5-[(4-methylpiperazin-1-yl)methyl]phenyl}-3-[(quinolin-4-yl)amino]benzamide, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (2.89 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
8VPH
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BU of 8vph by Molmil
CamA Adenine Methyltransferase Complexed to Cognate Substrate DNA and Containing Quinoline-based SGI-1027 Analog 455 and Inhibitor MC4741
分子名称: DNA Strand I, DNA Strand II, N-(3-phenylpropyl)adenosine, ...
著者Zhou, J, Horton, J.R, Cheng, X.
登録日2024-01-16
公開日2024-09-25
最終更新日2024-10-02
実験手法X-RAY DIFFRACTION (3.18 Å)
主引用文献Quinoline-based compounds can inhibit diverse enzymes that act on DNA.
Biorxiv, 2024
6WV6
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BU of 6wv6 by Molmil
Human VKOR with phenindione
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Phenindione, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV5
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BU of 6wv5 by Molmil
Human VKOR C43S mutant with vitamin K1 epoxide
分子名称: (2R,3R)-2-hydroxy-3-methyl-2-[(2E,7S)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-2,3-dihydronaphthalene-1,4-dione, Vitamin K epoxide reductase Cys43Ser mutant, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WV3
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Human VKOR with warfarin
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, S-WARFARIN, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.197 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVH
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BU of 6wvh by Molmil
Human VKOR with Brodifacoum
分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Brodifacoum, Vitamin K epoxide reductase, ...
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-06
公開日2020-11-11
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6WVB
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BU of 6wvb by Molmil
Takifugu rubripes VKOR-like with warfarin
分子名称: S-WARFARIN, Vitamin K epoxide reductase-like protein, termini restrained by green fluorescent protein
著者Liu, S, Sukumar, N, Li, W.
登録日2020-05-05
公開日2020-11-11
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.872 Å)
主引用文献Structural basis of antagonizing the vitamin K catalytic cycle for anticoagulation.
Science, 371, 2021
6JDQ
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BU of 6jdq by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA
分子名称: CRISPR-associated endonuclease Cas9, sgRNA
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-02
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6JE3
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BU of 6je3 by Molmil
Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM) with 5 nt overhang
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target DNA strand, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-03
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.931 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6KC7
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BU of 6kc7 by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in seed-base paring state
分子名称: CRISPR-associated endonuclease Cas9, DNA (5'-D(*AP*TP*AP*TP*GP*AP*TP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*AP*TP*CP*AP*TP*AP*TP*GP*TP*AP*AP*AP*GP*TP*T)-3'), ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-06-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
5WDM
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BU of 5wdm by Molmil
An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein
分子名称: Single-chain insulin analog
著者Yee, V.C, Aldabbagh, K, Peng, Y.
登録日2017-07-05
公開日2017-11-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.803 Å)
主引用文献An ultra-stable single-chain insulin analog resists thermal inactivation and exhibits biological signaling duration equivalent to the native protein.
J. Biol. Chem., 293, 2018
6KC8
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BU of 6kc8 by Molmil
Crystal structure of WT Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in post-cleavage state
分子名称: CRISPR-associated endonuclease Cas9, DNA (5'-D(*AP*TP*AP*TP*GP*AP*TP*TP*TP*TP*A)-3'), DNA (5'-D(*TP*AP*AP*AP*AP*TP*CP*AP*TP*AP*TP*GP*TP*A)-3'), ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-06-27
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6L40
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BU of 6l40 by Molmil
Discovery of novel peptidomimetic boronate ClpP inhibitors with noncanonical enzyme mechanism as potent virulence blockers in vitro and in vivo
分子名称: ATP-dependent Clp protease proteolytic subunit, [(1S)-3-methyl-1-[[(2S)-3-phenyl-2-(pyrazin-2-ylcarbonylamino)propanoyl]amino]butyl]boronic acid
著者Luo, Y.F, Bao, R, Ju, Y, He, L.H.
登録日2019-10-15
公開日2020-07-08
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.209 Å)
主引用文献Discovery of Novel Peptidomimetic Boronate ClpP Inhibitors with Noncanonical Enzyme Mechanism as Potent Virulence Blockersin Vitroandin Vivo.
J.Med.Chem., 63, 2020
6JDV
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BU of 6jdv by Molmil
Crystal structure of Nme1Cas9 in complex with sgRNA and target DNA (ATATGATT PAM) in catalytic state
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, MAGNESIUM ION, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-02
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.1 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
6JFU
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BU of 6jfu by Molmil
Crystal structure of Nme2Cas9 in complex with sgRNA and target DNA (AGGCCC PAM)
分子名称: 1,2-ETHANEDIOL, CRISPR-associated endonuclease Cas9, non-target strand, ...
著者Sun, W, Yang, J, Cheng, Z, Liu, C, Wang, K, Huang, X, Wang, Y.
登録日2019-02-12
公開日2019-11-06
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (3.2 Å)
主引用文献Structures of Neisseria meningitidis Cas9 Complexes in Catalytically Poised and Anti-CRISPR-Inhibited States.
Mol.Cell, 76, 2019
5TDL
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BU of 5tdl by Molmil
Crystal structure of prefusion-stabilized bovine RSV fusion glycoprotein (single-chain DS2-v1 variant: strain 391-2 sc9 DS-Cav1 Q98C Q361C)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Bovine prefusion RSV F glycoprotein
著者Chen, L, Zhang, B, Kwong, P.D.
登録日2016-09-19
公開日2017-08-16
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (3.5 Å)
主引用文献Protection of calves by a prefusion-stabilized bovine RSV F vaccine.
NPJ Vaccines, 2, 2017
6J1O
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BU of 6j1o by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI from Aspergillus flavus
分子名称: 5'-DEOXY-5'-METHYLTHIOADENOSINE, O-methyltransferase lepI, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-28
公開日2019-05-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6J46
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LepI-SAH complex structure
分子名称: O-methyltransferase lepI, S-ADENOSYL-L-HOMOCYSTEINE
著者Qiu, S, Wei, C.
登録日2019-01-08
公開日2019-05-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.621 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
6JLC
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BU of 6jlc by Molmil
Structure determination of CAMP factor of Mobiluncus curtisii and insight into structural dynamics
分子名称: ACETATE ION, CAMP factor
著者Jin, T.C, Zeng, W.H.
登録日2019-03-04
公開日2019-12-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.847 Å)
主引用文献Structure determination of CAMP factor of Mobiluncus curtisii and insights into structural dynamics.
Int.J.Biol.Macromol., 150, 2020
6J24
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BU of 6j24 by Molmil
Crystal structure of a SAM-dependent methyltransferase LepI in complex with its substrate
分子名称: (3~{S},4'~{R},4'~{a}~{S},6'~{R},8'~{a}~{S})-4',6'-dimethyl-5-phenyl-spiro[1~{H}-pyridine-3,5'-2,3,4,4~{a},6,8~{a}-hexahydro-1~{H}-naphthalene]-2,4-dione, O-methyltransferase, S-ADENOSYLMETHIONINE
著者Qiu, S, Wei, C.
登録日2018-12-30
公開日2019-05-01
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.244 Å)
主引用文献Deciphering the regulatory and catalytic mechanisms of an unusual SAM-dependent enzyme.
Signal Transduct Target Ther, 4, 2019
5UTY
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BU of 5uty by Molmil
Crystal Structure of a Stabilized DS-SOSIP.mut4 BG505 gp140 HIV-1 Env Trimer, Containing Mutations I201C-P433C (DS), L154M, N300M, N302M, T320L in Complex with Human Antibodies PGT122 and 35O22 at 4.1 Angstrom
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, 35O22 Fab heavy chain, ...
著者Xu, K, Chuang, G.-Y, Pancera, M, Kwong, P.D.
登録日2017-02-15
公開日2017-03-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (3.412 Å)
主引用文献Structure-Based Design of a Soluble Prefusion-Closed HIV-1 Env Trimer with Reduced CD4 Affinity and Improved Immunogenicity.
J. Virol., 91, 2017
5VC8
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BU of 5vc8 by Molmil
Crystal structure of the WHSC1 PWWP1 domain
分子名称: DNA (5'-D(P*CP*TP*(DN))-3'), Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION, ...
著者Qin, S, Tempel, W, Dong, A, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC)
登録日2017-03-31
公開日2017-06-28
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Histone and DNA binding ability studies of the NSD subfamily of PWWP domains.
Biochem.Biophys.Res.Commun., 569, 2021

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