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7LED
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BU of 7led by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU4 (LR2-78)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl][(2S)-2-methylbutyl]amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.996 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEB
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BU of 7leb by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU2 (LR2-79)
Descriptor: Protease, SULFATE ION, diethyl ({4-[(2S,3R)-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl][(2S)-2-methylbutyl]amino}butyl]phenoxy}methyl)phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
7LEH
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BU of 7leh by Molmil
HIV-1 Protease WT (NL4-3) in Complex with PU9 (LR2-80)
Descriptor: Protease, SULFATE ION, diethyl [(4-{(2S,3R)-4-{[(2H-1,3-benzodioxol-5-yl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate
Authors:Lockbaum, G.J, Rusere, L.N, Henes, M, Kosovrasti, K, Lee, S.K, Spielvogel, E, Nalivaika, E.A, Swanstrom, R, KurtYilmaz, N, Schiffer, C.A, Ali, A.
Deposit date:2021-01-14
Release date:2022-01-26
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:HIV-1 Protease Inhibitors with a P1 Phosphonate Modification Maintain Potency against Drug Resistant Variants by Increased van der Waals Contacts with Flaps Residues
To Be Published
3NVM
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BU of 3nvm by Molmil
Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle
Descriptor: Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein
Authors:Xue, S, Wang, R, Li, H.
Deposit date:2010-07-08
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.408 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
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
3NVI
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BU of 3nvi by Molmil
Structure of N-terminal truncated Nop56/58 bound with L7Ae and box C/D RNA
Descriptor: 50S ribosomal protein L7Ae, NOP5/NOP56 related protein, RNA (5'-R(*CP*UP*CP*UP*GP*AP*CP*CP*GP*AP*AP*AP*GP*GP*CP*GP*UP*GP*AP*UP*GP*AP*GP*C)-3')
Authors:Li, H, Xue, S, Wang, R.
Deposit date:2010-07-08
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.709 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
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
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
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
3NVK
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BU of 3nvk by Molmil
Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle
Descriptor: 50S ribosomal protein L7Ae, Fibrillarin-like rRNA/tRNA 2'-O-methyltransferase, NOP5/NOP56 related protein, ...
Authors:Xue, S, Wang, R, Li, H.
Deposit date:2010-07-08
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (3.209 Å)
Cite:Structural basis for substrate placement by an archaeal box C/D ribonucleoprotein particle.
Mol.Cell, 39, 2010
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
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
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
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
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
8XC1
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BU of 8xc1 by Molmil
C. elegans SID1 in complex with dsRNA
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gong, D.S.
Deposit date:2023-12-07
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
8XBS
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BU of 8xbs by Molmil
C. elegans apo-SID1 structure
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Gong, D.S.
Deposit date:2023-12-07
Release date:2024-06-05
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.21 Å)
Cite:Structural basis for double-stranded RNA recognition by SID1.
Nucleic Acids Res., 52, 2024
6VAA
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BU of 6vaa by Molmil
Structure of the Fanconi Anemia ID complex bound to ICL DNA
Descriptor: DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
6VAF
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BU of 6vaf by Molmil
Structure of mono-ubiquitinated FANCD2 bound to non-ubiquitinated FANCI and to DNA
Descriptor: DNA (29-MER), Fanconi anemia group D2 protein, Fanconi anemia, ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
6VAE
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BU of 6vae by Molmil
Mono-ubiquitinated Fanconi Anemia ID complex bound to ICL DNA
Descriptor: DNA (29-MER), Fanconi anemia group D2 protein, Fanconi anemia, ...
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2020-04-22
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
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
6VAD
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BU of 6vad by Molmil
Fanconi Anemia ID complex
Descriptor: Fanconi anemia group D2 protein, Fanconi anemia, complementation group I
Authors:Pavletich, N.P.
Deposit date:2019-12-17
Release date:2020-03-18
Last modified:2024-03-06
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
5XP6
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BU of 5xp6 by Molmil
native structure of NDM-1 crystallized at pH5.5
Descriptor: 1,2-ETHANEDIOL, HYDROXIDE ION, Metallo-beta-lactamase type 2, ...
Authors:Zhang, H, Ma, G, Lai, J, Sun, H.
Deposit date:2017-06-01
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (0.95 Å)
Cite:Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018
5XP9
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BU of 5xp9 by Molmil
Crystal structure of Bismuth bound NDM-1
Descriptor: Bismuth(III) ION, GLYCEROL, Metallo-beta-lactamase type 2
Authors:Zhang, H, Ma, G, Lai, T.P, Sun, H.
Deposit date:2017-06-01
Release date:2018-03-07
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Bismuth antimicrobial drugs serve as broad-spectrum metallo-beta-lactamase inhibitors
Nat Commun, 9, 2018

222036

數據於2024-07-03公開中

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