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6JHQ
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BU of 6jhq by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F4
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-18
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
6JHS
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BU of 6jhs by Molmil
The cryo-EM structure of HAV bound to a neutralizing antibody-F7
Descriptor: FAB Heavy Chain, FAB Light Chain, VP1, ...
Authors:Cao, L, Liu, P, Yang, P, Gao, Q, Li, H, Sun, Y, Zhu, L, Lin, J, Su, D, Rao, Z, Wang, X.
Deposit date:2019-02-19
Release date:2020-03-18
Method:ELECTRON MICROSCOPY (3.05 Å)
Cite:Structural basis for neutralization of hepatitis A virus informs a rational design of highly potent inhibitors.
Plos Biol., 17, 2019
6KDR
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BU of 6kdr by Molmil
Crystal structure of human NRMT2 in complex with human centromere protein B peptide
Descriptor: Alpha N-terminal protein methyltransferase 1B, CHLORIDE ION, GLYCEROL, ...
Authors:Yue, Y, Li, H.
Deposit date:2019-07-02
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.112 Å)
Cite:Substrate-enzyme engagement regulates state-specific alpha-N methylation of NRMT2
to be published
8E1A
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BU of 8e1a by Molmil
Structure-based study to overcome cross-reactivity of novel androgen receptor inhibitors
Descriptor: 1,2-ETHANEDIOL, 4-[4-(3-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]morpholine, Androgen receptor
Authors:Lallous, N, Li, H, Radaeva, M, Dalal, K, Leblanc, E, Ban, F, Ciesielski, F, Chow, B, Morin, M, Singh, K, Rennie, P.S, Cherkasov, A.
Deposit date:2022-08-10
Release date:2022-09-14
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Structure-Based Study to Overcome Cross-Reactivity of Novel Androgen Receptor Inhibitors.
Cells, 11, 2022
5TRG
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BU of 5trg by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide DPLG-2
Descriptor: N,N-diethyl-N~2~-[(2E)-3-phenylprop-2-enoyl]-L-asparaginyl-4-fluoro-N-[(naphthalen-1-yl)methyl]-L-phenylalaninamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.-C, Fan, H, Singh, R.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
Deposit date:2016-10-26
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.804 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
3B3N
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BU of 3b3n by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-yl}ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}ethane-1,2-diamine, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
6BS8
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BU of 6bs8 by Molmil
The class 3 DnaB intein from Mycobacterium smegmatis
Descriptor: Replicative DNA helicase
Authors:Li, Z, Kelley, D.S, Banavali, N, Belfort, M, Li, H.
Deposit date:2017-12-01
Release date:2018-11-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Mycobacterial DnaB helicase intein as oxidative stress sensor.
Nat Commun, 9, 2018
3B3M
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BU of 3b3m by Molmil
Structure of neuronal NOS heme domain in complex with a inhibitor (+-)-3-{cis-4'-[(6"-aminopyridin-2"-yl)methyl]pyrrolidin-3'-ylamino}propan-1-ol
Descriptor: 3-({(3S,4S)-4-[(6-aminopyridin-2-yl)methyl]pyrrolidin-3-yl}amino)propan-1-ol, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-07-15
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Minimal pharmacophoric elements and fragment hopping, an approach directed at molecular diversity and isozyme selectivity. Design of selective neuronal nitric oxide synthase inhibitors.
J.Am.Chem.Soc., 130, 2008
5TRS
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BU of 5trs by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2144
Descriptor: N-tert-butoxy-N~2~-(5-methyl-1,2-oxazole-3-carbonyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
Deposit date:2016-10-27
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.083567 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
3B3O
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BU of 3b3o by Molmil
Structure of neuronal nos heme domain in complex with a inhibitor (+-)-n1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-n2-(4'-chlorobenzyl)ethane-1,2-diamine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3S,4S)-4-[(6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL]PYRROLIDIN-3-YL}-N'-(4-CHLOROBENZYL)ETHANE-1,2-DIAMINE, ...
Authors:Igarashi, J, Li, H, Poulos, T.L.
Deposit date:2007-10-22
Release date:2008-11-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
5TRR
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BU of 5trr by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2169
Descriptor: N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-N-[(naphthalen-1-yl)methyl]-L-alaninamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
Deposit date:2016-10-27
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.103 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
5TRY
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BU of 5try by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2206
Descriptor: (2~{S})-~{N}-[(2~{S})-3-methoxy-1-(naphthalen-1-ylmethylamino)-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-2-(3-phenylpropanoylamino)-4-piperidin-1-yl-butanamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
Deposit date:2016-10-27
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.000008 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
5TS0
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BU of 5ts0 by Molmil
Structure of Mycobacterium tuberculosis proteasome in complex with N,C-capped dipeptide PKS2208
Descriptor: (2S)-N-{(2S)-3-methoxy-1-[(naphthalen-1-ylmethyl)amino]-1-oxopropan-2-yl}-4-oxo-2-[(3-phenylpropanoyl)amino]-4-(1H-pyrrol-1-yl)butanamide (non-preferred name), Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.-C, Fan, H, Singh, P.K, Wang, R, Sukenick, G, Nathan, C, Lin, G, Li, H.
Deposit date:2016-10-27
Release date:2017-01-11
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.84679747 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
6J3O
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BU of 6j3o by Molmil
Crystal structure of the human PCAF bromodomain in complex with compound 12
Descriptor: 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2B
Authors:Huang, L.Y, Li, H, Li, L.L, Niu, L, Seupel, R, Wu, C.Y, Li, G.B, Yu, Y.M, Brennan, P.E, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Discovery of Pyrrolo[3,2- d]pyrimidin-4-one Derivatives as a New Class of Potent and Cell-Active Inhibitors of P300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 62, 2019
5UN0
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BU of 5un0 by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome-assembly chaperone homologue Rv2125
Descriptor: proteasome assembly chaperone 2 (PAC2) homologue Rv2125
Authors:Bai, L, Jastrab, J.B, Hu, K, Yu, H, Darwin, K.H, Li, H.
Deposit date:2017-01-30
Release date:2017-03-01
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Mycobacterium tuberculosis Homologues of the Eukaryotic Proteasome Assembly Chaperone 2 (PAC2).
J. Bacteriol., 199, 2017
1N3U
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BU of 1n3u by Molmil
Crystal structure of human heme oxygenase 1 (HO-1) in complex with its substrate heme, crystal form B
Descriptor: CHLORIDE ION, PROTOPORPHYRIN IX CONTAINING FE, heme oxygenase 1
Authors:Lad, L, Schuller, D.J, Friedman, J.P, Li, H, Ortiz de Montellano, P.R, Poulos, T.L.
Deposit date:2002-10-29
Release date:2002-11-06
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Comparison of the heme-free and -bound crystal structures of human heme oxygenase-1
J.Biol.Chem., 278, 2003
3ERC
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BU of 3erc by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, ...
Authors:Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
Deposit date:2008-10-01
Release date:2009-06-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
5THO
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BU of 5tho by Molmil
Crystal Structure of Mycobacterium Tuberculosis Proteasome in complex with N,C-capped Dipeptide Inhibitor PKS2205
Descriptor: N,N-diethyl-N~2~-(3-phenylpropanoyl)-L-asparaginyl-O-methyl-N-[(naphthalen-1-yl)methyl]-L-serinamide, Proteasome subunit alpha, Proteasome subunit beta
Authors:Hsu, H.C, Li, H.
Deposit date:2016-09-30
Release date:2017-01-11
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.002 Å)
Cite:Structural Basis for the Species-Selective Binding of N,C-Capped Dipeptides to the Mycobacterium tuberculosis Proteasome.
Biochemistry, 56, 2017
8FOJ
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BU of 8foj by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase complex in the post RNA handoff state
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8FOC
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BU of 8foc by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase in Apo state conformation I
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8FOH
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BU of 8foh by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase complex in the RNA synthesis state
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (4.6 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8FOE
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BU of 8foe by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase complex bound to a template DNA
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8FOK
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BU of 8fok by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase complex in the DNA elongation state
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8FOD
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BU of 8fod by Molmil
Cryo-EM structure of S. cerevisiae DNA polymerase alpha-primase complex in Apo state conformation II
Descriptor: DNA polymerase, DNA polymerase alpha subunit B, DNA primase, ...
Authors:Yuan, Z, Georgescu, R, Li, H, O'Donnell, M.
Deposit date:2022-12-30
Release date:2023-05-31
Last modified:2024-03-13
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Molecular choreography of primer synthesis by the eukaryotic Pol alpha-primase.
Nat Commun, 14, 2023
8D4X
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BU of 8d4x by Molmil
Structure of the human UBR5 HECT-type E3 ubiquitin ligase in a dimeric form
Descriptor: E3 ubiquitin-protein ligase UBR5, ZINC ION
Authors:Wang, F, He, Q, Lin, G, Li, H.
Deposit date:2022-06-02
Release date:2023-04-19
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structure of the human UBR5 E3 ubiquitin ligase.
Structure, 31, 2023

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数据于2024-10-16公开中

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