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PDB: 263 results

4M2C
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Crystal structure of non-heme iron oxygenase OrfP in complex with Fe and D-Arg
Descriptor: D-ARGININE, FE (III) ION, L-arginine beta-hydroxylase
Authors:Chang, C.Y, Liu, Y.C, Lyu, S.Y, Wu, C.C, Li, T.L.
Deposit date:2013-08-05
Release date:2014-06-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms.
Angew.Chem.Int.Ed.Engl., 53, 2014
5GWK
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BU of 5gwk by Molmil
Human topoisomerase IIalpha in complex with DNA and etoposide
Descriptor: (5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-[(1R)-ethylidene]-beta-D-glucopyranoside, DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), ...
Authors:Wang, Y.R, Wu, C.C, Chan, N.L.
Deposit date:2016-09-12
Release date:2017-08-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.152 Å)
Cite:Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
4ZO3
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AidC, a Dizinc Quorum-Quenching Lactonase, in complex with a product N-hexnoyl-L-homoserine
Descriptor: Acylhomoserine lactonase, N-hexanoyl-L-homoserine, ZINC ION
Authors:Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
Deposit date:2015-05-05
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
5GWJ
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BU of 5gwj by Molmil
Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S
Descriptor: DNA (5'-D(P*AP*GP*CP*CP*GP*AP*GP*C)-3'), DNA (5'-D(P*TP*GP*CP*AP*GP*CP*TP*CP*GP*GP*CP*T)-3'), DNA topoisomerase 2-beta, ...
Authors:Wang, Y.R, Chen, S.F, Wu, C.C, Chan, N.L.
Deposit date:2016-09-12
Release date:2017-08-23
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.566 Å)
Cite:Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry
Nucleic Acids Res., 45, 2017
4NE0
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BU of 4ne0 by Molmil
Crystal structure of non-heme iron oxygenase OrfP D157A mutant in complex with (3S)-hydroxy-L-Arg
Descriptor: (2S,3S)-3-HYDROXYARGININE, FE (III) ION, L-arginine beta-hydroxylase, ...
Authors:Chang, C.Y, Liu, Y.C, Lyu, S.Y, Wu, C.C, Li, T.L.
Deposit date:2013-10-28
Release date:2014-06-18
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms
Angew.Chem.Int.Ed.Engl., 53, 2014
2VXU
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BU of 2vxu by Molmil
Crystal structure of murine reference antibody 125-2H Fab fragment
Descriptor: MURINE IGG 125-2H
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
2VXV
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Crystal structure of human IgG ABT-325 Fab Fragment
Descriptor: 3-CYCLOHEXYL-1-PROPYLSULFONIC ACID, GLYCEROL, HUMAN IGG ABT-325
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
8IWW
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BU of 8iww by Molmil
hSPCA1 in the CaE1P-ADP state
Descriptor: ADENOSINE-5'-DIPHOSPHATE, CALCIUM ION, Calcium-transporting ATPase type 2C member 1, ...
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.71 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWS
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BU of 8iws by Molmil
hSPCA1 in the CaE2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, CALCIUM ION, Calcium-transporting ATPase type 2C member 1, ...
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWT
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BU of 8iwt by Molmil
hSPCA1 in the early E2P state
Descriptor: BERYLLIUM TRIFLUORIDE ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWU
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BU of 8iwu by Molmil
hSPCA1 in the E2~P state
Descriptor: Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION, TETRAFLUOROALUMINATE ION
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.31 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
8IWR
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BU of 8iwr by Molmil
hSPCA1 in the CaE1-ATP state
Descriptor: CALCIUM ION, Calcium-transporting ATPase type 2C member 1, MAGNESIUM ION, ...
Authors:Liu, Z.M, Wu, M.Q, Wu, C.
Deposit date:2023-03-31
Release date:2023-12-27
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:Structure and transport mechanism of the human calcium pump SPCA1.
Cell Res., 33, 2023
2VXT
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BU of 2vxt by Molmil
Crystal structure of human IL-18 complexed to murine reference antibody 125-2H Fab
Descriptor: CHLORIDE ION, INTERLEUKIN-18, MAGNESIUM ION, ...
Authors:Argiriadi, M.A, Xiang, T, Wu, C, Ghayur, T, Borhani, D.W.
Deposit date:2008-07-10
Release date:2009-06-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Unusual Water-Mediated Antigenic Recognition of the Proinflammatory Cytokine Interleukin-18.
J.Biol.Chem., 284, 2009
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
6J3P
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BU of 6j3p by Molmil
Crystal structure of the human GCN5 bromodomain in complex with compound (R,R)-36n
Descriptor: 2-{[(3R,5R)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpiperidin-3-yl]amino}-3-methyl-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one, Histone acetyltransferase KAT2A
Authors:Huang, L.Y, Li, H, Niu, L, Wu, C.Y, Yu, Y.M, Li, L.L, Yang, S.Y.
Deposit date:2019-01-05
Release date:2019-05-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.598 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
3MAZ
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BU of 3maz by Molmil
Crystal Structure of the Human BRDG1/STAP-1 SH2 Domain in Complex with the NTAL pTyr136 Peptide
Descriptor: CheD family protein, MALONATE ION, Signal-transducing adaptor protein 1
Authors:Kaneko, T, Huang, H, Zhao, B, Li, L, Liu, H, Voss, C.K, Wu, C, Schiller, M.R, Li, S.S.
Deposit date:2010-03-24
Release date:2010-05-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Loops govern SH2 domain specificity by controlling access to binding pockets.
Sci.Signal., 3, 2010
2PO5
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BU of 2po5 by Molmil
Crystal structure of human ferrochelatase mutant with His 263 replaced by Cys
Descriptor: CHOLIC ACID, FE2/S2 (INORGANIC) CLUSTER, Ferrochelatase, ...
Authors:Dailey, H.A, Wu, C.-K, Horanyi, P, Medlock, A.E, Najahi-Missaoui, A.E.W, Burden, A, Dailey, T.A, Rose, J.P.
Deposit date:2007-04-25
Release date:2007-10-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Altered orientation of active site residues in variants of human ferrochelatase. Evidence for a hydrogen bond network involved in catalysis
Biochemistry, 46, 2007
5GIF
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BU of 5gif by Molmil
Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, ACETYL COENZYME *A, Dopamine N-acetyltransferase
Authors:Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C.
Deposit date:2016-06-23
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Binary Complex with Acetyl-CoA
To Be Published
5GIG
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BU of 5gig by Molmil
Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
Descriptor: (4S,5S)-1,2-DITHIANE-4,5-DIOL, COENZYME A, Dopamine N-acetyltransferase, ...
Authors:Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C.
Deposit date:2016-06-23
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystal Structure of Drosophila melanogaster E47D Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-dopamine
To Be Published
5GII
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BU of 5gii by Molmil
Crystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
Descriptor: COENZYME A, Dopamine N-acetyltransferase, N-(2-phenylethyl)acetamide
Authors:Yang, Y.C, Wu, C.Y, Cheng, H.C, Lyu, P.C.
Deposit date:2016-06-23
Release date:2017-07-05
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.294 Å)
Cite:Crystal Structure of Drosophila melanogaster E47N Dopamine N-Acetyltransferase in Ternary Complex with CoA and Acetyl-phenylethylamine
To Be Published
4ZO2
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BU of 4zo2 by Molmil
AidC, a Dizinc Quorum-Quenching Lactonase
Descriptor: Acylhomoserine lactonase, ZINC ION
Authors:Mascarenhas, R, Thomas, P.W, Wu, C.-X, Nocek, B.P, Hoang, Q, Fast, W, Liu, D.
Deposit date:2015-05-05
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.09 Å)
Cite:Structural and Biochemical Characterization of AidC, a Quorum-Quenching Lactonase with Atypical Selectivity.
Biochemistry, 54, 2015
4GHT
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BU of 4ght by Molmil
Crystal structure of EV71 3C proteinase in complex with AG7088
Descriptor: 3C proteinase, 4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER
Authors:Chen, C, Wu, C, Cai, Q, Li, N, Peng, X, Cai, Y, Yin, K, Chen, X, Wang, X, Zhang, R, Liu, L, Chen, S, Li, J, Lin, T.
Deposit date:2012-08-08
Release date:2013-06-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structures of Enterovirus 71 3C proteinase (strain E2004104-TW-CDC) and its complex with rupintrivir
Acta Crystallogr.,Sect.D, 69, 2013
7W8O
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BU of 7w8o by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-a
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8K
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BU of 7w8k by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp1
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022
7W8R
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BU of 7w8r by Molmil
Solution structures of a disulfide-rich peptide that can bind mdm2
Descriptor: drp2-b
Authors:Fan, S.H, Wu, Y.P, Wu, C.L.
Deposit date:2021-12-08
Release date:2022-06-08
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structure-guided design of CPPC-paired disulfide-rich peptide libraries for ligand and drug discovery.
Chem Sci, 13, 2022

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