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PDB: 1312 results

3G32
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CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3)
Descriptor: 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Y
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CTX-M-9 class A beta-lactamase complexed with compound 1 (GF4)
Descriptor: 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3BQO
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BU of 3bqo by Molmil
Crystal Structure of TRF1 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 1
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2007-12-20
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3BUA
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BU of 3bua by Molmil
Crystal Structure of TRF2 TRFH domain and APOLLO peptide complex
Descriptor: DNA cross-link repair 1B protein, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2008-01-02
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3G31
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BU of 3g31 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 4 (GF1)
Descriptor: (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G30
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CTX-M-9 class A beta-lactamase complexed with compound 3 (G30)
Descriptor: (1S,2R)-2-[(2,5-difluorophenyl)carbamoyl]cyclopropanecarboxylic acid, Beta-lactamase CTX-M-9a
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G2Z
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BU of 3g2z by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 2 (GZ2)
Descriptor: 3-(1H-tetrazol-5-ylamino)cyclohex-2-en-1-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
3G35
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CTX-M-9 class A beta-lactamase complexed with compound 12 (F13)
Descriptor: 3-fluoro-N-[3-(1H-tetrazol-5-yl)phenyl]benzamide, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
6N7E
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BU of 6n7e by Molmil
Crystal structure of the cytosolic domain of human CNNM2 in complex with AMP-PNP and Mg2+
Descriptor: MAGNESIUM ION, Metal transporter CNNM2,Metal transporter CNNM2, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER
Authors:Chen, Y.S, Gehring, K.
Deposit date:2018-11-27
Release date:2019-12-04
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Mg2+-ATP Sensing in CNNM, a Putative Magnesium Transporter.
Structure, 28, 2020
3FN3
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BU of 3fn3 by Molmil
Dimeric Structure of PD-L1
Descriptor: Programmed cell death 1 ligand 1
Authors:Chen, Y, Gao, F, Liu, P, Chu, F, Qi, J, Gao, G.F.
Deposit date:2008-12-23
Release date:2009-12-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A dimeric structure of PD-L1: functional units or evolutionary relics?
Protein Cell, 1, 2010
3FKV
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BU of 3fkv by Molmil
AmpC K67R mutant complexed with benzo(b)thiophene-2-boronic acid (bzb)
Descriptor: BENZO[B]THIOPHENE-2-BORONIC ACID, Beta-lactamase, PHOSPHATE ION, ...
Authors:Chen, Y, McReynolds, A, Shoichet, B.K.
Deposit date:2008-12-17
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.847 Å)
Cite:Re-examining the role of Lys67 in class C beta-lactamase catalysis.
Protein Sci., 18, 2009
3ITA
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BU of 3ita by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in acyl-enzyme complex with ampicillin
Descriptor: (2R,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid, (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID, D-alanyl-D-alanine carboxypeptidase dacC, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3IT9
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BU of 3it9 by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in apo state
Descriptor: D-alanyl-D-alanine carboxypeptidase dacC, SULFATE ION, beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3ITB
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BU of 3itb by Molmil
Crystal structure of Penicillin-Binding Protein 6 (PBP6) from E. coli in complex with a substrate fragment
Descriptor: D-alanyl-D-alanine carboxypeptidase DacC, Peptidoglycan substrate (AMV)A(FGA)K(DAL)(DAL), SULFATE ION, ...
Authors:Chen, Y, Zhang, W, Shi, Q, Hesek, D, Lee, M, Mobashery, S, Shoichet, B.K.
Deposit date:2009-08-27
Release date:2009-10-20
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of penicillin-binding protein 6 from Escherichia coli.
J.Am.Chem.Soc., 131, 2009
3BU8
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BU of 3bu8 by Molmil
Crystal Structure of TRF2 TRFH domain and TIN2 peptide complex
Descriptor: TERF1-interacting nuclear factor 2, Telomeric repeat-binding factor 2
Authors:Chen, Y, Yang, Y, van Overbeek, M, Donigian, J.R, Baciu, P, de Lange, T, Lei, M.
Deposit date:2008-01-02
Release date:2008-02-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:A shared docking motif in TRF1 and TRF2 used for differential recruitment of telomeric proteins.
Science, 319, 2008
3G34
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BU of 3g34 by Molmil
CTX-M-9 class A beta-lactamase complexed with compound 11 (1CE)
Descriptor: 3-(1H-tetrazol-5-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, Beta-lactamase CTX-M-9a, DIMETHYL SULFOXIDE, ...
Authors:Chen, Y, Shoichet, B.K.
Deposit date:2009-02-01
Release date:2009-03-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.31 Å)
Cite:Molecular docking and ligand specificity in fragment-based inhibitor discovery
Nat.Chem.Biol., 5, 2009
2HKO
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BU of 2hko by Molmil
Crystal structure of LSD1
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Lysine-specific histone demethylase 1
Authors:Chen, Y, Yang, Y.T, Wang, F, Yanane, K, Zhang, Y, Lei, M.
Deposit date:2006-07-05
Release date:2006-08-29
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of human histone lysine-specific demethylase 1 (LSD1).
Proc.Natl.Acad.Sci.Usa, 103, 2006
5BUR
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BU of 5bur by Molmil
O-succinylbenzoate Coenzyme A Synthetase (MenE) from Bacillus Subtilis, in Complex with ATP and Magnesium Ion
Descriptor: 1,2-ETHANEDIOL, 2-succinylbenzoate--CoA ligase, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Chen, Y, Sun, Y, Song, H, Guo, Z.
Deposit date:2015-06-04
Release date:2015-08-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Structural Basis for the ATP-dependent Configuration of Adenylation Active Site in Bacillus subtilis o-Succinylbenzoyl-CoA Synthetase
J.Biol.Chem., 290, 2015
7YK6
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BU of 7yk6 by Molmil
Cryo-EM structure of the compound 4-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: 1-[2-(4-chlorophenyl)ethyl]-3-[(7-ethyl-5-oxidanyl-1H-indol-3-yl)methylideneamino]guanidine, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YJ4
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BU of 7yj4 by Molmil
Cryo-EM structure of the INSL5-bound human relaxin family peptidereceptor 4 (RXFP4)-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Liu, H, Xu, H.E, Yang, D.H, Wang, M.W.
Deposit date:2022-07-19
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
7YK7
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BU of 7yk7 by Molmil
Cryo-EM structure of the DC591053-bound human relaxin family peptide receptor 4 (RXFP4)-Gi complex
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-2, ...
Authors:Chen, Y, Zhou, Q.T, Wang, J, Xu, Y.W, Wang, Y, Yan, J.H, Wang, Y.B, Zhu, Q, Zhao, F.H, Li, C.H, Chen, C.W, Cai, X.Q, Bathgate, R.A.D, Shen, C, Xu, H.E, Yang, D.H, Liu, H, Wang, M.W.
Deposit date:2022-07-21
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.75 Å)
Cite:Ligand recognition mechanism of the human relaxin family peptide receptor 4 (RXFP4).
Nat Commun, 14, 2023
8CZZ
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BU of 8czz by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer with LMHS mutations in complex with Temsavir, 8ANC195, and 10-1074
Descriptor: 1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Y, Pozharski, E, Tolbert, W, Pazgier, M.
Deposit date:2022-05-25
Release date:2023-05-31
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
5GTM
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BU of 5gtm by Molmil
Modified human MxA, nucleotide-free form
Descriptor: Interferon-induced GTP-binding protein Mx1
Authors:Chen, Y, Gao, S.
Deposit date:2016-08-22
Release date:2017-05-31
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.896 Å)
Cite:Conformational dynamics of dynamin-like MxA revealed by single-molecule FRET
Nat Commun, 8, 2017
8DOK
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BU of 8dok by Molmil
Cryo-EM structure of T/F100 SOSIP.664 HIV-1 Env trimer in complex with 8ANC195 and 10-1074
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, Y, Zhou, F, Huang, R, Tolbert, W, Pazgier, M.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2023-11-08
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structure-function analyses reveal key molecular determinants of HIV-1 CRF01_AE resistance to the entry inhibitor temsavir.
Nat Commun, 14, 2023
3D4I
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BU of 3d4i by Molmil
Crystal structure of the 2H-phosphatase domain of Sts-2
Descriptor: CHLORIDE ION, Sts-2 protein
Authors:Chen, Y, Carpino, N, Nassar, N.
Deposit date:2008-05-14
Release date:2009-03-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and functional characterization of the 2H-phosphatase domain of Sts-2 reveals an acid-dependent phosphatase activity.
Biochemistry, 48, 2009

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數據於2024-06-26公開中

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