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PDB: 261 results

1Q6P
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BU of 1q6p by Molmil
THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 6
Descriptor: 4'-((2S)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)-1,1'-BIPHENYL-3-YLPHOSPHONIC ACID, CHLORIDE ION, Protein-tyrosine phosphatase, ...
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
1Q6J
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THE STRUCTURE OF PHOSPHOTYROSINE PHOSPHATASE 1B IN COMPLEX WITH COMPOUND 2
Descriptor: Protein-tyrosine phosphatase, non-receptor type 1, [4-(2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-{4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}-2-PHENYLPROPYL)PHENYL](DIFLUORO)METHYLPHOSPHONIC ACID
Authors:Scapin, G, Patel, S.B, Becker, J.W, Wang, Q, Desponts, C, Waddleton, D, Skorey, K, Cromlish, W, Bayly, C, Therien, M, Gauthier, J.Y, Li, C.S, Lau, C.K, Ramachandran, C, Kennedy, B.P, Asante-Appiah, E.
Deposit date:2003-08-13
Release date:2003-09-30
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The Structural Basis for the Selectivity of Benzotriazole Inhibitors of Ptp1B
Biochemistry, 42, 2003
2PFD
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BU of 2pfd by Molmil
Anisotropically refined structure of FTCD
Descriptor: Formimidoyltransferase-cyclodeaminase
Authors:Poon, B.K, Chen, X, Lu, M, Quiocho, F.A, Wang, Q, Ma, J.
Deposit date:2007-04-04
Release date:2007-04-24
Last modified:2011-08-10
Method:X-RAY DIFFRACTION (3.42 Å)
Cite:Anisotropically refined structure of FTCD
To be Published
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
Descriptor: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
Authors:Deng, Z, Wang, Q, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
6M1V
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BU of 6m1v by Molmil
Crystal structure of post fusion core of 2019-nCoV S2 subunit
Descriptor: Spike protein S2,Spike protein S2
Authors:Sun, H, Song, H, Wang, Q.
Deposit date:2020-02-26
Release date:2020-06-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of HCoV-19 fusion core and an effective inhibition peptide against virus entry.
Emerg Microbes Infect, 9, 2020
7RPK
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BU of 7rpk by Molmil
Cryo-EM structure of murine Dispatched in complex with Sonic hedgehog
Descriptor: (2S)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(hexanoyloxy)propyl hexanoate, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPJ
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BU of 7rpj by Molmil
Cryo-EM structure of murine Dispatched NNN mutant
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Protein dispatched homolog 1
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPH
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BU of 7rph by Molmil
Cryo-EM structure of murine Dispatched 'R' conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
7RPI
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BU of 7rpi by Molmil
Cryo-EM structure of murine Dispatched 'T' conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHOLESTEROL HEMISUCCINATE, Lauryl Maltose Neopentyl Glycol, ...
Authors:Asarnow, D, Wang, Q, Ding, K, Cheng, Y, Beachy, P.A.
Deposit date:2021-08-03
Release date:2021-10-27
Last modified:2023-12-13
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Dispatched uses Na + flux to power release of lipid-modified Hedgehog.
Nature, 599, 2021
4R3D
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BU of 4r3d by Molmil
Crystal structure of MERS Coronavirus papain like protease
Descriptor: Non-structural protein 3, ZINC ION
Authors:Kong, L.Y, Wang, Q, Ming, Z.H, Shaw, N, Sun, Y.N, Yan, L.M, Lou, Z.Y, Rao, Z.H.
Deposit date:2014-08-15
Release date:2015-08-19
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.818 Å)
Cite:The Crystal Structures of Middle East Respiratory Syndrome Coronavirus Papain-like Protease and Its Complex with an Inhibitor
To be Published
4RWT
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BU of 4rwt by Molmil
Structure of actin-Lmod complex
Descriptor: Actin-5C, Leiomodin-2, MAGNESIUM ION, ...
Authors:Chen, X, Ni, F, Wang, Q.
Deposit date:2014-12-05
Release date:2015-10-14
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Mechanisms of leiomodin 2-mediated regulation of actin filament in muscle cells.
Proc.Natl.Acad.Sci.USA, 112, 2015
7U4L
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BU of 7u4l by Molmil
Crystal structure of human GPX4-U46C in complex with MAC-5576
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, thiophene-2-carbaldehyde
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4K
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BU of 7u4k by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with ML162
Descriptor: 1,2-ETHANEDIOL, 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-[(1R)-2-oxo-2-[(2-phenylethyl)amino]-1-(thiophen-2-yl)ethyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4N
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BU of 7u4n by Molmil
Crystal structure of human GPX4-U46C in complex with RSL3
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Xia, X, Soni, R.K, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4M
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BU of 7u4m by Molmil
Crystal structure of human GPX4-U46C in complex with LOC1886
Descriptor: 1,2-ETHANEDIOL, 4-methoxy-1H-indole-2-carbaldehyde, Phospholipid hydroperoxide glutathione peroxidase
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2022-12-28
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4J
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BU of 7u4j by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with TMT10
Descriptor: Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION, ~{N}-(3-chloranyl-4-methoxy-phenyl)ethanamide
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
7U4I
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BU of 7u4i by Molmil
Crystal structure of human GPX4-U46C-R152H in complex with CDS9
Descriptor: 2-bromo-N-[(thiophen-2-yl)methyl]acetamide, Phospholipid hydroperoxide glutathione peroxidase, THIOCYANATE ION
Authors:Forouhar, F, Liu, H, Lin, A.J, Wang, Q, Polychronidou, V, Soni, R.K, Xia, X, Stockwell, B.R.
Deposit date:2022-02-28
Release date:2022-12-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Small-molecule allosteric inhibitors of GPX4.
Cell Chem Biol, 29, 2022
3FUS
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BU of 3fus by Molmil
Improved Structure of the Unliganded Simian Immunodeficiency Virus gp120 Core
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)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, X, Poon, B, Wang, Q, Ma, J.
Deposit date:2009-01-14
Release date:2009-06-30
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural improvement of unliganded simian immunodeficiency virus gp120 core by normal-mode-based X-ray crystallographic refinement.
Acta Crystallogr.,Sect.D, 65, 2009
3DP6
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BU of 3dp6 by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR2 bound to glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 2, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
3DLN
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BU of 3dln by Molmil
Crystal structure of the binding domain of the AMPA subunit GluR3 bound to glutamate
Descriptor: GLUTAMIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-06-27
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008
5WT9
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BU of 5wt9 by Molmil
Complex structure of PD-1 and nivolumab-Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of Nivolumab, Light Chain of Nivolumab, ...
Authors:Tan, S, Zhang, H, Chai, Y, Song, H, Tong, Z, Wang, Q, Qi, J, Wong, G, Zhu, X, Liu, W.J, Gao, S, Wang, Z, Shi, Y, Yang, F, Gao, G.F, Yan, J.
Deposit date:2016-12-10
Release date:2017-02-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.401 Å)
Cite:An unexpected N-terminal loop in PD-1 dominates binding by nivolumab.
Nat Commun, 8, 2017
4IGP
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BU of 4igp by Molmil
Histone H3 Lysine 4 Demethylating Rice JMJ703 apo enzyme
Descriptor: FE (III) ION, Os05g0196500 protein
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGO
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BU of 4igo by Molmil
Histone H3 Lysine 4 Demethylating rice Rice JMJ703 in complex with alpha-KG
Descriptor: 2-OXOGLUTARIC ACID, FE (III) ION, Os05g0196500 protein
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
4IGQ
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BU of 4igq by Molmil
Histone H3 Lysine 4 Demethylating Rice JMJ703 in complex with methylated H3K4 substrate
Descriptor: FE (III) ION, N-OXALYLGLYCINE, Os05g0196500 protein, ...
Authors:Chen, Q.F, Chen, X.S, Wang, Q, Zhang, F.B, Lou, Z.Y, Zhang, Q.F, Zhou, D.X.
Deposit date:2012-12-17
Release date:2013-04-03
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural basis of a histone H3 lysine 4 demethylase required for stem elongation in rice.
PLoS Genet., 9, 2013
3DP4
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Crystal structure of the binding domain of the AMPA subunit GluR3 bound to AMPA
Descriptor: (S)-ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID, Glutamate receptor 3, ZINC ION
Authors:Ahmed, A.H, Wang, Q, Sondermann, H, Oswald, R.E.
Deposit date:2008-07-07
Release date:2008-11-25
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structure of the S1S2 glutamate binding domain of GLuR3.
Proteins, 75, 2008

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