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4D8N
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BU of 4d8n by Molmil
Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency
Descriptor: 2-{[4-(aminomethyl)phenyl]carbamoyl}-1-[(1-benzyl-1H-imidazol-2-yl)methyl]-3-hydroxypyridinium, Kallikrein-6
Authors:Chen, X, Xia, T, Wang, R.
Deposit date:2012-01-11
Release date:2012-03-21
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Bioorg.Med.Chem.Lett., 22, 2012
3UO1
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BU of 3uo1 by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
Descriptor: ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ...
Authors:Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
Deposit date:2011-11-16
Release date:2012-07-25
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.641 Å)
Cite:The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
3UYR
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BU of 3uyr by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
Descriptor: 1,2-ETHANEDIOL, H-2 class I histocompatibility antigen, L-D alpha chain, ...
Authors:Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
Deposit date:2011-12-06
Release date:2012-07-25
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
3NMU
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BU of 3nmu by Molmil
Crystal Structure of substrate-bound halfmer box C/D RNP
Descriptor: 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ...
Authors:Li, H, Xue, S, Wang, R.
Deposit date:2010-06-22
Release date:2011-05-25
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.729 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
3I4H
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BU of 3i4h by Molmil
Crystal structure of Cas6 in Pyrococcus furiosus
Descriptor: endoribonuclease
Authors:Carte, J, Wang, R, Li, H, Terns, R.M, Terns, M.P.
Deposit date:2009-07-01
Release date:2009-09-22
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Cas6 is an endoribonuclease that generates guide RNAs for invader defense in prokaryotes
Genes Dev., 22, 2008
3V52
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BU of 3v52 by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
Descriptor: 1,2-ETHANEDIOL, ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, ...
Authors:Mage, M.G, Dolan, M.A, Wang, R, Boyd, L.F, Revilleza, M.J, Robinson, H, Natarajan, K, Myers, N.B, Hansen, T.H, Margulies, D.H.
Deposit date:2011-12-15
Release date:2012-07-25
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.697 Å)
Cite:The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
3Q48
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BU of 3q48 by Molmil
Crystal structure of Pseudomonas aeruginosa CupB2 chaperone
Descriptor: Chaperone CupB2
Authors:Cai, X, Wang, R, Filloux, A, Waksman, G, Meng, G.
Deposit date:2010-12-23
Release date:2011-02-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional characterization of Pseudomonas aeruginosa CupB chaperones
Plos One, 6, 2011
3V4U
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BU of 3v4u by Molmil
Structure of a monoclonal antibody complexed with its MHC-I antigen
Descriptor: ANTI-MHC-I MONOCLONAL ANTIBODY, 64-3-7 H CHAIN, 64-3-7 L CHAIN, ...
Authors:Margulies, D.H, Mage, M.G, Wang, R, Natarajan, K.
Deposit date:2011-12-15
Release date:2012-07-25
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:The Peptide-receptive transition state of MHC class I molecules: insight from structure and molecular dynamics.
J.Immunol., 189, 2012
4HPM
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BU of 4hpm by Molmil
PCGF1 Ub fold (RAWUL)/BCORL1 PUFD Complex
Descriptor: BCL-6 corepressor-like protein 1, PHOSPHATE ION, Polycomb group RING finger protein 1
Authors:Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A.
Deposit date:2012-10-24
Release date:2013-05-01
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs.
Structure, 21, 2013
4HPL
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BU of 4hpl by Molmil
PCGF1 Ub fold (RAWUL)/BCOR PUFD Complex
Descriptor: BCL-6 corepressor, Polycomb group RING finger protein 1
Authors:Junco, S.E, Wang, R, Gaipa, J, Taylor, A.B, Gearhart, M.D, Bardwell, V.J, Hart, P.J, Kim, C.A.
Deposit date:2012-10-24
Release date:2013-05-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure of the Polycomb Group Protein PCGF1 in Complex with BCOR Reveals Basis for Binding Selectivity of PCGF Homologs.
Structure, 21, 2013
4LAK
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BU of 4lak by Molmil
Crystal structure of Cordyceps militaris IDCase D323N mutant in apo form
Descriptor: Uracil-5-carboxylate decarboxylase, ZINC ION
Authors:Xu, S, Li, W, Zhu, J, Wang, R, Li, Z, Xu, G.L, Ding, J.
Deposit date:2013-06-20
Release date:2013-10-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.41 Å)
Cite:Crystal structures of isoorotate decarboxylases reveal a novel catalytic mechanism of 5-carboxyl-uracil decarboxylation and shed light on the search for DNA decarboxylase.
Cell Res., 23, 2013
2KZX
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BU of 2kzx by Molmil
Solution NMR Structure of A3DHT5 from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR116
Descriptor: Uncharacterized protein
Authors:Mills, J.L, Eletsky, A, Lee, H, Janjua, H, Ciccosanti, C, Wang, R, Rost, B, Acton, T.B, Xiao, R, Everett, J.K, Prestegard, J.H, Montelione, G.T, Szyperski, T, Northeast Structural Genomics Consortium (NESG)
Deposit date:2010-06-25
Release date:2010-08-25
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Northeast Structural Genomics Consortium Target CmR116
To be Published
1BBY
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BU of 1bby by Molmil
DNA-BINDING DOMAIN FROM HUMAN RAP30, NMR, MINIMIZED AVERAGE
Descriptor: RAP30
Authors:Groft, C.M, Uljon, S.N, Wang, R, Werner, M.H.
Deposit date:1998-04-26
Release date:1998-11-25
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structural homology between the Rap30 DNA-binding domain and linker histone H5: implications for preinitiation complex assembly.
Proc.Natl.Acad.Sci.USA, 95, 1998
7C6Q
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BU of 7c6q by Molmil
Novel natural PPARalpha agonist with a unique binding mode
Descriptor: 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium, LYS-ILE-LEU-HIS-ARG-LEU-LEU-GLN, Peroxisome proliferator-activated receptor alpha
Authors:Tian, S.Y, Wang, R, Zheng, W.L, Li, Y.
Deposit date:2020-05-22
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural Basis for PPARs Activation by The Dual PPAR alpha / gamma Agonist Sanguinarine: A Unique Mode of Ligand Recognition.
Molecules, 26, 2021
1VJY
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BU of 1vjy by Molmil
Crystal Structure of a Naphthyridine Inhibitor of Human TGF-beta Type I Receptor
Descriptor: 2-[5-(6-METHYLPYRIDIN-2-YL)-2,3-DIHYDRO-1H-PYRAZOL-4-YL]-1,5-NAPHTHYRIDINE, TGF-beta receptor type I
Authors:Gellibert, F, Woolven, J, Fouchet, M.-H, Mathews, N, Goodland, H, Lovegrove, V, Laroze, A, Nguyen, V.-L, Sautet, S, Wang, R, Janson, C, Smith, W, Krysa, G, Boullay, V, de Gouville, A.-C, Huet, S, Hartley, D.
Deposit date:2004-04-07
Release date:2004-08-31
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Identification of 1,5-Naphthyridine Derivatives as a Novel Series of Potent and Selective TGF-beta Type I Receptor Inhibitors.
J.Med.Chem., 47, 2004
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
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
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
5HNQ
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BU of 5hnq by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: 5fC modified RNA
Authors:Luo, Z, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5HN2
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BU of 5hn2 by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
Authors:Luo, Z.P, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
5HNJ
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BU of 5hnj by Molmil
Base Pairing and Structure Insights into the 5-Formylcytosine in RNA Duplex
Descriptor: RNA (5'-R(*GP*UP*AP*(OFC)P*GP*UP*AP*C)-3'), SODIUM ION
Authors:Luo, Z.P, Sheng, J.
Deposit date:2016-01-18
Release date:2016-04-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Base pairing and structural insights into the 5-formylcytosine in RNA duplex.
Nucleic Acids Res., 44, 2016
7E8M
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BU of 7e8m by Molmil
Crystal structure of SARS-CoV-2 antibody P2C-1F11 with mutated RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, antibody P2C-1F11 heavy chain, ...
Authors:Wang, X.Q, Zhang, L.Q, Ge, J.W, Wang, R.K, Lan, J.
Deposit date:2021-03-02
Release date:2021-05-26
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Analysis of SARS-CoV-2 variant mutations reveals neutralization escape mechanisms and the ability to use ACE2 receptors from additional species.
Immunity, 54, 2021
8Y13
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BU of 8y13 by Molmil
Cryo-EM structure of anti-phage defense associated DSR2 tetramer (H171A)
Descriptor: SIR2-like domain-containing protein
Authors:Li, F.X, Shi, Z.B, Wang, R.W, Xu, Q, Yang, R, Wu, Z.X.
Deposit date:2024-01-23
Release date:2024-09-11
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite:The structural basis of the activation and inhibition of DSR2 NADase by phage proteins.
Nat Commun, 15, 2024

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数据于2024-10-16公开中

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