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PDB: 164 results

6D3F
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Crystal Structure of the PTP epsilon D2 domain
Descriptor: Receptor-type tyrosine-protein phosphatase epsilon
Authors:Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
Deposit date:2018-04-16
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.271 Å)
Cite:High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
4HW4
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BU of 4hw4 by Molmil
Discovery of potent Mcl-1 inhibitors using fragment-based methods and structure-based design
Descriptor: Induced myeloid leukemia cell differentiation protein Mcl-1, Mcl-1 BH3 peptide
Authors:Friberg, A, Zhao, B.
Deposit date:2012-11-07
Release date:2013-01-09
Last modified:2013-03-06
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Discovery of potent myeloid cell leukemia 1 (Mcl-1) inhibitors using fragment-based methods and structure-based design.
J.Med.Chem., 56, 2013
1SBG
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BU of 1sbg by Molmil
AN ORALLY-BIOAVAILABLE HIV-1 PROTEASE INHIBITOR CONTAINING AN IMIDAZOLE-DERIVED PEPTIDE BOND REPLACEMENT. CRYSTALLOGRAPHIC AND PHARMACOKINETIC ANALYSIS
Descriptor: (2R,4S,5S,1'S)-2-PHENYLMETHYL-4-HYDROXY-5-(TERT-BUTOXYCARBONYL)AMINO-6-PHENYL HEXANOYL-N-(1'-IMIDAZO-2-YL)-2'-METHYLPROPANAMIDE, HIV-1 PROTEASE
Authors:Abdel-Meguid, S, Zhao, B.
Deposit date:1994-05-24
Release date:1994-10-15
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:An orally bioavailable HIV-1 protease inhibitor containing an imidazole-derived peptide bond replacement: crystallographic and pharmacokinetic analysis.
Biochemistry, 33, 1994
6D4F
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Crystal structure of PTP epsilon D2 domain (A455N/V457Y/E597D)
Descriptor: PENTAETHYLENE GLYCOL, Receptor-type tyrosine-protein phosphatase epsilon
Authors:Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
Deposit date:2018-04-18
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.909 Å)
Cite:High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
6D4D
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BU of 6d4d by Molmil
Crystal structure of the PTP epsilon D1 domain
Descriptor: Receptor-type tyrosine-protein phosphatase epsilon
Authors:Lountos, G.T, Raran-Kurussi, S, Zhao, B.M, Dyas, B.K, Austin, B.P, Burke Jr, T.R, Ulrich, R.G, Waugh, D.S.
Deposit date:2018-04-18
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.765 Å)
Cite:High-resolution crystal structures of the D1 and D2 domains of protein tyrosine phosphatase epsilon for structure-based drug design.
Acta Crystallogr D Struct Biol, 74, 2018
4O4S
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BU of 4o4s by Molmil
Crystal structure of phycobiliprotein lyase CpcT complexed with phycocyanobilin (PCB)
Descriptor: PHYCOCYANOBILIN, Phycocyanobilin lyase CpcT
Authors:Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X.
Deposit date:2013-12-19
Release date:2014-08-13
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structure and Mechanism of the Phycobiliprotein Lyase CpcT.
J.Biol.Chem., 289, 2014
4O4O
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BU of 4o4o by Molmil
Crystal structure of phycobiliprotein lyase CpcT
Descriptor: MAGNESIUM ION, Phycocyanobilin lyase CpcT
Authors:Zhou, W, Ding, W.-L, Zeng, X.-l, Dong, L.-L, Zhao, B, Zhou, M, Scheer, H, Zhao, K.-H, Yang, X.
Deposit date:2013-12-19
Release date:2014-08-06
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Mechanism of the Phycobiliprotein Lyase CpcT.
J.Biol.Chem., 289, 2014
6NM7
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BU of 6nm7 by Molmil
PD-L1 IgV domain bound to fragment
Descriptor: 5-phenylthieno[2,3-d]pyrimidin-4(3H)-one, Programmed cell death 1 ligand 1
Authors:Perry, E, Zhao, B.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.426 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
5W4Z
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BU of 5w4z by Molmil
Crystal Structure of Riboflavin Lyase (RcaE) with modified FMN and substrate Riboflavin
Descriptor: 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-3-O-phosphono-D-ribitol, RIBOFLAVIN, Riboflavin Lyase
Authors:Bhandari, D.M, Chakrabarty, Y, Zhao, B, Wood, J, Li, P, Begley, T.P.
Deposit date:2017-06-13
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Cannibalism Among the Flavins: a Novel C-N Bond Cleavage in Riboflavin Catabolism Mediated by Flavin-Generated Superoxide Radical
To be Published
5W48
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Crystal Structure of Riboflavin Lyase (RcaE)
Descriptor: Riboflavin Lyase, SULFATE ION
Authors:Bhandari, D.M, Chakrabarty, Y, Zhao, B, Wood, J, Li, P, Begley, T.P.
Deposit date:2017-06-09
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cannibalism Among the Flavins: a Novel C-N Bond Cleavage in Riboflavin Catabolism Mediated by Flavin-Generated Superoxide Radical
To be Published
6NM8
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IgV-V76T BMS compound 105
Descriptor: N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine, Programmed cell death 1 ligand 1
Authors:Perry, E, Zhao, B, Fesik, S.
Deposit date:2019-01-10
Release date:2019-02-20
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.792 Å)
Cite:Fragment-based screening of programmed death ligand 1 (PD-L1).
Bioorg. Med. Chem. Lett., 29, 2019
4Z8U
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BU of 4z8u by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:-ORF2 WITH ATP
Descriptor: ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ...
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
4Z8Q
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CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 COMPLEX, SELENOMETHIONINE SUBSTITUTED.
Descriptor: AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2022-03-16
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
5HFU
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BU of 5hfu by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 27, a 2-amido-6-benzenesulfonamide glucosamine
Descriptor: Hexokinase-2, ~{N}-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-[[(4-cyanophenyl)sulfonylamino]methyl]-2,4,5-tris(oxidanyl)oxan-3-yl]-3-phenyl-benzamide
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.923 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
4Z8V
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BU of 4z8v by Molmil
CRYSTAL STRUCTURE OF AVRRXO1-ORF1:-ORF2 COMPLEX, NATIVE.
Descriptor: AvrRxo1-ORF1, AvrRxo1-ORF2, PHOSPHATE ION
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
4Z8T
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BU of 4z8t by Molmil
CRYSTAL STRUCTURE OF AvrRxo1-ORF1:AvrRxo1-ORF2 WITH SULPHATE IONS
Descriptor: ACETATE ION, AvrRxo1-ORF1, AvrRxo1-ORF2, ...
Authors:Han, Q, Zhou, C, Wu, S, Liu, Y, Yang, Z, Miao, J, Triplett, L, Cheng, Q, Tokuhisa, J, Deblais, L, Robinson, H, Leach, J.E, Li, J, Zhao, B.
Deposit date:2015-04-09
Release date:2015-09-23
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal Structure of Xanthomonas AvrRxo1-ORF1, a Type III Effector with a Polynucleotide Kinase Domain, and Its Interactor AvrRxo1-ORF2.
Structure, 23, 2015
5HG1
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BU of 5hg1 by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 1, a C-2-substituted glucosamine
Descriptor: 2-deoxy-2-{[(2E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino}-alpha-D-glucopyranose, 6-O-phosphono-beta-D-glucopyranose, CITRATE ANION, ...
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-07
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5HEX
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BU of 5hex by Molmil
Crystal Structure of Human Hexokinase 2 with cmpd 30, a 2-amino-6-benzenesulfonamide glucosamine
Descriptor: 2-[(3-bromobenzene-1-carbonyl)amino]-6-{[(4-carboxy-5-methylfuran-2-yl)sulfonyl]amino}-2,6-dideoxy-alpha-D-glucopyranos e, Hexokinase-2
Authors:Campobasso, N, Zhao, B, Smallwood, A.
Deposit date:2016-01-06
Release date:2016-03-30
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.734 Å)
Cite:Discovery of a Novel 2,6-Disubstituted Glucosamine Series of Potent and Selective Hexokinase 2 Inhibitors.
Acs Med.Chem.Lett., 7, 2016
5W4Y
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BU of 5w4y by Molmil
Crystal Structure of Riboflavin Lyase (RcaE) with cofactor FMN
Descriptor: FLAVIN MONONUCLEOTIDE, Riboflavin Lyase
Authors:Bhandari, D.M, Chakrabarty, Y, Zhao, B, Wood, J, Li, P, Begley, T.P.
Deposit date:2017-06-13
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cannibalism Among the Flavins: a Novel C-N Bond Cleavage in Riboflavin Catabolism Mediated by Flavin-Generated Superoxide Radical
To be Published
6ASL
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BU of 6asl by Molmil
Crystal Structure of Flavin monooxygenase CmoJ (earlier YtnJ) bound with FMN
Descriptor: FLAVIN MONONUCLEOTIDE, LUMIFLAVIN, Putative monooxygenase MoxC
Authors:Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
Deposit date:2017-08-24
Release date:2018-09-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
6ASK
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BU of 6ask by Molmil
Crystal Structure of apo Flavin monooxygenase CmoJ (earlier YtnJ)
Descriptor: Putative monooxygenase MoxC
Authors:Bhandari, D.M, Zhao, B, Li, P, Begley, T.P.
Deposit date:2017-08-24
Release date:2018-08-29
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Flavin mediated Pummerer type rearrangement in cysteine salvage pathway
To Be Published
6ATV
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BU of 6atv by Molmil
The molecular mechanisms by which NS1 of the 1918 Spanish influenza A virus hijack host protein-protein interactions
Descriptor: Adapter molecule crk, proline-rich motif in IAV-NS1
Authors:Shen, Q, Zeng, D, Zhao, B, Li, P, Cho, J.H.
Deposit date:2017-08-29
Release date:2018-08-08
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Molecular Mechanisms of Tight Binding through Fuzzy Interactions.
Biophys. J., 114, 2018
2INT
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BU of 2int by Molmil
CRYSTAL STRUCTURE OF RECOMBINANT HUMAN INTERLEUKIN-4
Descriptor: INTERLEUKIN-4
Authors:Walter, M.R, Cook, W.J, Zhao, B.G, Cameron Junior, R, Ealick, S.E, Walter Junior, R.L, Reichert, P, Nagabhushan, T.L, Trotta, P.P, Bugg, C.E.
Deposit date:1993-07-22
Release date:1994-01-31
Last modified:2019-08-14
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of recombinant human interleukin-4.
J.Biol.Chem., 267, 1992
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
2LGK
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BU of 2lgk by Molmil
NMR Structure of UHRF1 PHD domains in a complex with histone H3 peptide
Descriptor: E3 ubiquitin-protein ligase UHRF1, ZINC ION, histone H3 peptide
Authors:Wang, C, Shen, J, Yang, Z, Chen, P, Zhao, B, Hu, W, Lan, W, Tong, X, Wu, H, Li, G, Cao, C.
Deposit date:2011-07-28
Release date:2011-09-28
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Structural basis for site-specific reading of unmodified R2 of histone H3 tail by UHRF1 PHD finger.
Cell Res., 21, 2011

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