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5XUT
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BU of 5xut by Molmil
Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCTA PAM)
Descriptor: 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*TP*A)-3'), ...
Authors:Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2017-06-26
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1.
Mol. Cell, 67, 2017
6CB6
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BU of 6cb6 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4IGP
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BU of 4igp by Molmil
Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme
Descriptor: FE (III) ION, Os05g0196500 protein
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGO
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BU of 4igo by Molmil
Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
5XUS
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BU of 5xus by Molmil
Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TTTA PAM)
Descriptor: 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*TP*TP*A)-3'), ...
Authors:Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2017-06-26
Release date:2017-08-09
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1.
Mol. Cell, 67, 2017
5XH6
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BU of 5xh6 by Molmil
Crystal structure of the Acidaminococcus sp. BV3L6 Cpf1 RVR variant in complex with crRNA and target DNA (TATA PAM)
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, CRISPR-associated endonuclease Cpf1, ...
Authors:Nishimasu, H, Yamano, T, Ishitani, R, Nureki, O.
Deposit date:2017-04-19
Release date:2017-06-14
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1
Mol. Cell, 67, 2017
4IGQ
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BU of 4igq by Molmil
Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate
Descriptor: FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ...
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
5XUU
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BU of 5xuu by Molmil
Crystal structure of Lachnospiraceae bacterium ND2006 Cpf1 in complex with crRNA and target DNA (TCCA PAM)
Descriptor: 1,2-ETHANEDIOL, DNA (29-MER), DNA (5'-D(*CP*GP*TP*CP*CP*TP*CP*CP*A)-3'), ...
Authors:Yamano, T, Nishimasu, H, Ishitani, R, Nureki, O.
Deposit date:2017-06-26
Release date:2017-08-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for the Canonical and Non-canonical PAM Recognition by CRISPR-Cpf1.
Mol. Cell, 67, 2017
6KX2
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BU of 6kx2 by Molmil
Crystal structure of GDP bound RhoA protein
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.454 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6KX3
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BU of 6kx3 by Molmil
Crystal structure of RhoA protein with covalent inhibitor DC-Rhoin
Descriptor: GUANOSINE-5'-DIPHOSPHATE, Transforming protein RhoA, prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Authors:Zhang, H, Luo, C.
Deposit date:2019-09-09
Release date:2020-08-19
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Covalent Inhibitors Allosterically Block the Activation of Rho Family Proteins and Suppress Cancer Cell Invasion.
Adv Sci, 7, 2020
6CB7
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BU of 6cb7 by Molmil
CRYSTAL STRUCTURE OF VACCINIA VIRUS A6 N-TERMINUS (SPACE GROUP C2)
Descriptor: NICKEL (II) ION, Protein A6
Authors:Han, Y, Zhang, B, Deng, J.
Deposit date:2018-02-02
Release date:2018-12-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6BR9
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BU of 6br9 by Molmil
Structure of A6 reveals a novel lipid transporter
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, Protein A6 homolog, [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
Authors:Deng, J, Peng, S, Pathak, P.
Deposit date:2017-11-30
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of a lipid-bound viral membrane assembly protein reveals a modality for enclosing the lipid bilayer.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
4Y05
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BU of 4y05 by Molmil
KIF2C short Loop2 construct
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF2C, MAGNESIUM ION, ...
Authors:Wang, W, Knossow, M, Gigant, B.
Deposit date:2015-02-05
Release date:2015-06-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.59 Å)
Cite:New Insights into the Coupling between Microtubule Depolymerization and ATP Hydrolysis by Kinesin-13 Protein Kif2C.
J.Biol.Chem., 290, 2015
2RVH
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BU of 2rvh by Molmil
NMR structure of eIF1
Descriptor: Eukaryotic translation initiation factor eIF-1
Authors:Nagata, T, Obayashi, E, Asano, K.
Deposit date:2015-10-16
Release date:2016-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Molecular Landscape of the Ribosome Pre-initiation Complex during mRNA Scanning: Structural Role for eIF3c and Its Control by eIF5
Cell Rep, 18, 2017
4MI5
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BU of 4mi5 by Molmil
Crystal structure of the EZH2 SET domain
Descriptor: Histone-lysine N-methyltransferase EZH2, SULFATE ION, ZINC ION
Authors:Antonysamy, S, Condon, B, Druzina, Z, Bonanno, J, Gheyi, T, Macewan, I, Zhang, A, Ashok, S, Russell, M, Luz, J.G.
Deposit date:2013-08-30
Release date:2014-01-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Context of Disease-Associated Mutations and Putative Mechanism of Autoinhibition Revealed by X-Ray Crystallographic Analysis of the EZH2-SET Domain.
Plos One, 8, 2013
5Y27
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BU of 5y27 by Molmil
Crystal structure of Se-Met Dpb4-Dpb3
Descriptor: DNA polymerase epsilon subunit D, GLYCEROL, Putative transcription factor C16C4.22
Authors:Li, Y, Gao, F, Su, M, Zhang, F.B, Chen, Y.H.
Deposit date:2017-07-24
Release date:2018-01-24
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Coordinated regulation of heterochromatin inheritance by Dpb3-Dpb4 complex.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
6JFI
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BU of 6jfi by Molmil
The symmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural protein E, ...
Authors:Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (11 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6JEP
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BU of 6jep by Molmil
Structure of a neutralizing antibody bound to the Zika envelope protein domain III
Descriptor: Genome polyprotein, heavy chain of Fab ZK2B10, light chain of Fab ZK2B10
Authors:Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
Deposit date:2019-02-07
Release date:2019-05-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.316 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
6DTD
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BU of 6dtd by Molmil
High-resolution crystal structure of Cas13b from Prevotella buccae
Descriptor: CHLORIDE ION, CITRIC ACID, RNA (37-MER), ...
Authors:Slaymaker, I.M.S, Zhang, F.Z.
Deposit date:2018-06-15
Release date:2019-02-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:High-Resolution Structure of Cas13b and Biochemical Characterization of RNA Targeting and Cleavage.
Cell Rep, 26, 2019
6JFH
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BU of 6jfh by Molmil
The asymmetric-reconstructed cryo-EM structure of Zika virus-FabZK2B10 complex
Descriptor: FabZK2B10 heavy chain, FabZK2B10 light chain, ZIKV structural E protein, ...
Authors:Wang, L, Wang, R.K, Wang, L, Ben, H.J, Yu, L, Gao, F, Shi, X.L, Yin, C.B, Zhang, F.C, Xiang, Y, Zhang, L.Q.
Deposit date:2019-02-08
Release date:2019-04-10
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (20 Å)
Cite:Structural Basis for Neutralization and Protection by a Zika Virus-Specific Human Antibody.
Cell Rep, 26, 2019
8IAZ
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BU of 8iaz by Molmil
Cryo-EM structure of the ISFba1 TnpB-reRNA-dsDNA complex
Descriptor: DNA (5'-D(P*AP*CP*AP*TP*GP*GP*AP*CP*CP*AP*TP*CP*AP*GP*CP*TP*CP*CP*TP*AP*AP*TP*GP*G)-3'), DNA (5'-D(P*CP*CP*AP*TP*TP*AP*GP*GP*AP*GP*CP*TP*GP*AP*TP*G)-3'), RNA (207-MER), ...
Authors:Yin, M, Zhou, F, Zhu, Y, Huang, Z.
Deposit date:2023-02-09
Release date:2024-04-17
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Discovery and structural mechanism of DNA endonucleases guided by RAGATH-18-derived RNAs.
Cell Res., 34, 2024
8HTR
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BU of 8htr by Molmil
Crystal structure of Bcl2 in complex with S-9c
Descriptor: 4-[4-[(2~{S})-2-(2-chlorophenyl)pyrrolidin-1-yl]phenyl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
8HTS
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BU of 8hts by Molmil
Crystal structure of Bcl2 in complex with S-10r
Descriptor: 4-[2-[(2~{S})-2-(2-cyclopropylphenyl)pyrrolidin-1-yl]-7-azaspiro[3.5]nonan-7-yl]-~{N}-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide, Apoptosis regulator Bcl-2
Authors:Liu, J, Xu, M, Feng, Y, Liu, Y.
Deposit date:2022-12-21
Release date:2024-05-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Discovery of the Clinical Candidate Sonrotoclax (BGB-11417), a Highly Potent and Selective Inhibitor for Both WT and G101V Mutant Bcl-2.
J.Med.Chem., 67, 2024
7LTY
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BU of 7lty by Molmil
Bruton's tyrosine kinase in complex with compound 23
Descriptor: DIMETHYL SULFOXIDE, Isoform BTK-C of Tyrosine-protein kinase BTK, ~{N}-[(5~{R})-2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5~{H}-benzo[7]annulen-5-yl]-3-propan-2-yloxy-azetidine-1-carboxamide
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022
7LTZ
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BU of 7ltz by Molmil
Bruton's tyrosine kinase in complex with compound 51
Descriptor: 1-~{tert}-butyl-~{N}-[(5~{R})-8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-2-(oxetan-3-yl)-1,3,4,5-tetrahydro-2-benzazepin-5-yl]-1,2,3-triazole-4-carboxamide, 2,3-DIHYDROXY-1,4-DITHIOBUTANE, ACETATE ION, ...
Authors:Metrick, C.M, Marcotte, D.J.
Deposit date:2021-02-20
Release date:2022-01-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery and Preclinical Characterization of BIIB091, a Reversible, Selective BTK Inhibitor for the Treatment of Multiple Sclerosis.
J.Med.Chem., 65, 2022

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