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PDB: 840 results

8IEE
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BU of 8iee by Molmil
Crystal structure of nanobody VHH-31 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-31
Authors:Wang, X, Tian, L.
Deposit date:2023-02-15
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
8IDI
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BU of 8idi by Molmil
Crystal structure of nanobody VHH-T71 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-T71, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-3)][alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X, Tian, L.
Deposit date:2023-02-13
Release date:2024-02-28
Method:X-RAY DIFFRACTION (1.901 Å)
Cite:Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
To Be Published
6M4X
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BU of 6m4x by Molmil
Co-crystal structure of Ac-AChBPP in complex with [N9A]LvIA
Descriptor: Alpha-conotoxin LvIA, Soluble acetylcholine receptor
Authors:Wang, X.Q, Pan, S, Luo, S.L, Zhu, X.P.
Deposit date:2020-03-09
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.998 Å)
Cite:The crystal structure of Ac-AChBP in complex with LvIA analogs reveals the mechanism of its selectivity towards different nAChR subtypes
To Be Published
6M4Z
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BU of 6m4z by Molmil
Co-crystal structure of Ac-AChBPP in complex with alpha-conotoxin [D11A]LvIA
Descriptor: Alpha-conotoxin LvIA, Soluble acetylcholine receptor
Authors:Wang, X.Q, Pan, S, Luo, S.L, Zhu, X.P.
Deposit date:2020-03-09
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.803 Å)
Cite:The crystal structure of Ac-AChBP in complex with LvIA analogs reveals the mechanism of its selectivity towards different nAChR subtypes
To Be Published
4QPI
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BU of 4qpi by Molmil
Crystal structure of hepatitis A virus
Descriptor: CHLORIDE ION, Capsid protein VP1, Capsid protein VP2, ...
Authors:Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.01 Å)
Cite:Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
4QPG
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BU of 4qpg by Molmil
Crystal structure of empty hepatitis A virus
Descriptor: CHLORIDE ION, Capsid protein VP0, Capsid protein VP1, ...
Authors:Wang, X, Ren, J, Gao, Q, Hu, Z, Sun, Y, Li, X, Rowlands, D.J, Yin, W, Wang, J, Stuart, D.I, Rao, Z, Fry, E.E.
Deposit date:2014-06-23
Release date:2014-10-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Hepatitis A virus and the origins of picornaviruses.
Nature, 517, 2015
5WTG
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BU of 5wtg by Molmil
Crystal structure of the Fab fragment of anti-HAV antibody R10
Descriptor: FAB Heavy chain, FAB Light chain
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.907 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1JWZ
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BU of 1jwz by Molmil
Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105)
Descriptor: Beta-lactamase TEM, N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-05
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
5WTF
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BU of 5wtf by Molmil
Cryo-EM structure for Hepatitis A virus empty particle
Descriptor: VP0, VP1, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1JWV
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BU of 1jwv by Molmil
Crystal structure of G238A mutant of TEM-1 beta-lactamase in complex with a boronic acid inhibitor (sefb4)
Descriptor: BETA-LACTAMASE TEM, PINACOL[[2-AMINO-ALPHA-(1-CARBOXY-1-METHYLETHOXYIMINO)-4-THIAZOLEACETYL]AMINO]METHANEBORONATE, POTASSIUM ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-05
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
1IH0
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BU of 1ih0 by Molmil
Structure of the C-domain of Human Cardiac Troponin C in Complex with Ca2+ Sensitizer EMD 57033
Descriptor: 5-[1-(3,4-DIMETHOXY-BENZOYL)-1,2,3,4-TETRAHYDRO-QUINOLIN-6-YL]-6-METHYL-3,6-DIHYDRO-[1,3,4]THIADIAZIN-2-ONE, CALCIUM ION, TROPONIN C, ...
Authors:Wang, X, Li, M.X, Spyracopoulos, L, Beier, N, Chandra, M, Solaro, R.J, Sykes, B.D.
Deposit date:2001-04-18
Release date:2001-10-10
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the C-domain of human cardiac troponin C in complex with the Ca2+ sensitizing drug EMD 57033.
J.Biol.Chem., 276, 2001
5WTE
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BU of 5wte by Molmil
Cryo-EM structure for Hepatitis A virus full particle
Descriptor: VP1, VP2, VP3
Authors:Wang, X, Zhu, L, Dang, M, Hu, Z, Gao, Q, Yuan, S, Sun, Y, Zhang, B, Ren, J, Walter, T.S, Wang, J, Fry, E.E, Stuart, D.I, Rao, Z.
Deposit date:2016-12-11
Release date:2017-01-25
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Potent neutralization of hepatitis A virus reveals a receptor mimic mechanism and the receptor recognition site
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
1JWP
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BU of 1jwp by Molmil
Structure of M182T mutant of TEM-1 beta-lactamase
Descriptor: BETA-LACTAMASE TEM, PHOSPHATE ION
Authors:Wang, X, Minasov, G, Shoichet, B.K.
Deposit date:2001-09-04
Release date:2002-06-05
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Evolution of an antibiotic resistance enzyme constrained by stability and activity trade-offs.
J.Mol.Biol., 320, 2002
1LXF
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BU of 1lxf by Molmil
Structure of the Regulatory N-domain of Human Cardiac Troponin C in Complex with Human Cardiac Troponin-I(147-163) and Bepridil
Descriptor: 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE, CALCIUM ION, TROPONIN C, ...
Authors:Wang, X, Li, M.X, Sykes, B.D.
Deposit date:2002-06-05
Release date:2002-12-11
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure of the regulatory N-domain of human cardiac troponin C in complex with human cardiac troponin I147-163 and bepridil.
J.Biol.Chem., 277, 2002
4Y4A
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BU of 4y4a by Molmil
Endothiapepsin in complex with fragment 286
Descriptor: 5-(aminomethyl)-2-methoxyphenol, ACETATE ION, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-03-02
Method:X-RAY DIFFRACTION (1.278 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
4Y5B
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BU of 4y5b by Molmil
Endothiapepsin in complex with fragment 261
Descriptor: 2-({[(1S)-1-cyclopropylethyl](methyl)amino}methyl)quinazolin-4(3H)-one, ACETATE ION, DIMETHYL SULFOXIDE, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
5X6O
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BU of 5x6o by Molmil
Intact ATR/Mec1-ATRIP/Ddc2 complex
Descriptor: DNA damage checkpoint protein LCD1, Serine/threonine-protein kinase MEC1
Authors:Wang, X, Ran, T, Cai, G.
Deposit date:2017-02-22
Release date:2017-12-20
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:3.9 angstrom structure of the yeast Mec1-Ddc2 complex, a homolog of human ATR-ATRIP.
Science, 358, 2017
8IDM
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BU of 8idm by Molmil
Crystal structure of nanobody VHH-227 with nanobody VHH-T71 and MERS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Wang, X, Tian, L.
Deposit date:2023-02-13
Release date:2024-02-28
Method:X-RAY DIFFRACTION (3.59 Å)
Cite:Structural Definition of a Novel Nanobody Binding Site specifically targeting the MERS-CoV RBD Core-Domain with Neutralizing Capacity
To Be Published
4Y45
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BU of 4y45 by Molmil
Endothiapepsin in complex with fragment 291
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-10
Release date:2016-02-17
Method:X-RAY DIFFRACTION (1.06 Å)
Cite:Crystallographic Fragment Screening of an Entire Library
To Be Published
8IDO
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BU of 8ido by Molmil
Crystal structure of nanobody VHH-T148 with MERS-CoV RBD
Descriptor: Spike protein S1, VHH-T148, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X, Tian, L.
Deposit date:2023-02-14
Release date:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structures and neutralizing mechanisms of camel nanobodies targeting the receptor-binding domain of MERS-CoV spike glycoprotein
To Be Published
4Y5G
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BU of 4y5g by Molmil
Endothiapepsin in complex with fragment 272
Descriptor: ACETATE ION, DIMETHYL SULFOXIDE, Endothiapepsin, ...
Authors:Wang, X, Heine, A, Klebe, G.
Deposit date:2015-02-11
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallographic Fragment Sreening of an Entire Library
to be published
1NYM
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BU of 1nym by Molmil
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (CXB)
Descriptor: Beta-lactamase TEM, PHOSPHATE ION, POTASSIUM ION, ...
Authors:Wang, X, Minasov, G, Blazquez, J, Caselli, E, Prati, F, Shoichet, B.K.
Deposit date:2003-02-12
Release date:2003-08-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Recognition and resistance in TEM beta-lactamase
Biochemistry, 42, 2003
7XIY
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BU of 7xiy by Molmil
SARS-CoV-2 Omicron BA.3 variant spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-14
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.07 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7X6A
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BU of 7x6a by Molmil
SARS-CoV-2 BA.2 variant spike protein in complex with Fab BD55-5840
Descriptor: Heavy chain of Fab BD55-5840, Light chain of Fab BD55-5840, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-03-07
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XNQ
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BU of 7xnq by Molmil
SARS-CoV-2 Omicron BA.4 variant spike
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Wang, X, Wang, L.
Deposit date:2022-04-29
Release date:2022-07-13
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.52 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022

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数据于2024-06-12公开中

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