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8HAY
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BU of 8hay by Molmil
d4-bound btDPP4
Descriptor: (1~{R})-1-[[4-[5-[[(1~{R})-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]methyl]-2-methoxy-phenoxy]phenyl]methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1~{H}-isoquinoline, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-10-27
Release date:2023-07-26
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.74 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7C9Z
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BU of 7c9z by Molmil
Coxsackievirus B1 F-particle
Descriptor: MYRISTIC ACID, PALMITIC ACID, VP1, ...
Authors:Feng, R, Wang, K, Rao, Z, Wang, X.
Deposit date:2020-06-08
Release date:2020-08-12
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structures of Echovirus 30 in complex with its receptors inform a rational prediction for enterovirus receptor usage.
Nat Commun, 11, 2020
7Y4F
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BU of 7y4f by Molmil
bacterial DPP4
Descriptor: Dipeptidyl peptidase IV
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.918 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7Y4G
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BU of 7y4g by Molmil
sit-bound btDPP4
Descriptor: (2R)-4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6-DIHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRAZIN-7(8H)-YL]-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-A MINE, btDPP4
Authors:Hang, J, Jiang, C, Wang, K, Zhang, Z, Guo, F, Liu, J, Wang, G, Lei, X, Gonzalez, F, Qiao, J.
Deposit date:2022-06-14
Release date:2023-06-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Microbial-host-isozyme analyses reveal microbial DPP4 as a potential antidiabetic target.
Science, 381, 2023
7D1X
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BU of 7d1x by Molmil
Crystal structure of 7-alpha-hydroxyl bile acid sulfotransferase (Sult2a8)
Descriptor: ADENOSINE-3'-5'-DIPHOSPHATE, CHOLIC ACID, Sulfotransferase
Authors:Au, W.N.S, Wang, K.
Deposit date:2020-09-15
Release date:2021-09-22
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of sulfotransferase Sult2A8 reveals the distinct mode of substrate binding for sulfonation at 7-hydroxyl group
To be published
8WCN
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BU of 8wcn by Molmil
Cryo-EM structure of PAO1-ImcA with GMPCPP
Descriptor: Diguanylate cyclase, MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
Authors:Zhan, X.L, Zhang, K, Wang, C.C, Fan, Q, Tang, X.J, Zhang, X, Wang, K, Fu, Y, Liang, H.H.
Deposit date:2023-09-13
Release date:2024-03-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:A c-di-GMP signaling module controls responses to iron in Pseudomonas aeruginosa.
Nat Commun, 15, 2024
1C32
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BU of 1c32 by Molmil
SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
Authors:Bolton, P.H, Marathias, V.M, Wang, K.
Deposit date:1999-07-24
Release date:1999-08-18
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
1C34
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BU of 1c34 by Molmil
SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3')
Authors:Bolton, P.H, Marathias, V.M, Wang, K.
Deposit date:1999-07-24
Release date:1999-08-18
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
1C38
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BU of 1c38 by Molmil
SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMEDIATE
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), POTASSIUM ION
Authors:Bolton, P.H, Marathias, V.M, Wang, K.
Deposit date:1999-07-25
Release date:1999-08-25
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
1C35
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BU of 1c35 by Molmil
SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMIDIATE
Descriptor: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-3'), POTASSIUM ION
Authors:Bolton, P.H, Marathias, V.M, Wang, K.
Deposit date:1999-07-25
Release date:1999-08-18
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Structures of the potassium-saturated, 2:1, and intermediate, 1:1, forms of a quadruplex DNA.
Nucleic Acids Res., 28, 2000
7N6W
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BU of 7n6w by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U2 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]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:Zhang, S, Wang, K, Mao, Y.
Deposit date:2021-06-09
Release date:2021-09-22
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
7N6U
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BU of 7n6u by Molmil
Structure of uncleaved HIV-1 JR-FL Env glycoprotein trimer in state U1 bound to small Molecule HIV-1 Entry Inhibitor BMS-378806
Descriptor: 1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]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:Zhang, S, Wang, K, Mao, Y.
Deposit date:2021-06-09
Release date:2021-09-22
Last modified:2021-12-08
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Asymmetric Structures and Conformational Plasticity of the Uncleaved Full-Length Human Immunodeficiency Virus Envelope Glycoprotein Trimer.
J.Virol., 95, 2021
3FXJ
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BU of 3fxj by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 3 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXK
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BU of 3fxk by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 10 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXL
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BU of 3fxl by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 1 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXO
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BU of 3fxo by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Phosphate at 1 mM of Mn2+
Descriptor: MANGANESE (II) ION, PHOSPHATE ION, Protein phosphatase 1A
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
3FXM
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BU of 3fxm by Molmil
Crystal Structure of Human Protein phosphatase 1A (PPM1A) Bound with Citrate at 10 mM of Mn2+
Descriptor: CITRATE ANION, MANGANESE (II) ION, PHOSPHATE ION, ...
Authors:Hu, T, Wang, L, Wang, K, Jiang, H, Shen, X.
Deposit date:2009-01-21
Release date:2010-01-26
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis for the Mn2+-dependent activation of human PPM1A
To be published
7F3Q
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BU of 7f3q by Molmil
SARS-CoV-2 RBD in complex with A5-10 Fab and A34-2 Fab
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of A34-2 Fab, ...
Authors:Dou, Y, Wang, X, Liu, P, Lu, B, Wang, K.
Deposit date:2021-06-16
Release date:2022-06-22
Last modified:2024-01-24
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Development of neutralizing antibodies against SARS-CoV-2, using a high-throughput single-B-cell cloning method.
Antib Ther, 6, 2023
6F7H
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BU of 6f7h by Molmil
Crystal structure of human AQP10
Descriptor: Aquaporin-10, GLYCEROL, nonyl beta-D-glucopyranoside
Authors:Gotfryd, K, Wang, K, Missel, J.W, Pedersen, P.A, Gourdon, P.
Deposit date:2017-12-08
Release date:2018-11-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.304 Å)
Cite:Human adipose glycerol flux is regulated by a pH gate in AQP10.
Nat Commun, 9, 2018
3NFC
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BU of 3nfc by Molmil
Crystal structure of E.coli MazF Toxin
Descriptor: PemK-like protein 1
Authors:Wang, X, Wang, K, Su, X, Zhang, J.
Deposit date:2010-06-10
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Biochemical and Structural Analysis of E. coli MazF Toxin
To be Published
4S39
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BU of 4s39 by Molmil
IspG in complex with HMBPP
Descriptor: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3C
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BU of 4s3c by Molmil
IspG in complex with Epoxide Intermediate
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-05-06
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3E
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BU of 4s3e by Molmil
IspG in complex with Inhibitor 7 (compound 1061)
Descriptor: 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, GLYCEROL, IRON/SULFUR CLUSTER, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S3B
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BU of 4s3b by Molmil
IspG in complex with Intermediate II
Descriptor: (3S)-1,3-dihydroxy-4-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}-2-methylbut-2-ylium, carbokation intermediate, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Rao, G, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015
4S38
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BU of 4s38 by Molmil
IspG in complex MEcPP
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE, 4-hydroxy-3-methylbut-2-en-1-yl diphosphate synthase, ...
Authors:Quitterer, F, Frank, A, Wang, K, Guodong, R, O'Dowd, B, Li, J, Guerra, F, Abdel-Azeim, S, Bacher, A, Eppinger, J, Oldfield, E, Groll, M.
Deposit date:2015-01-26
Release date:2015-04-29
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Atomic-Resolution Structures of Discrete Stages on the Reaction Coordinate of the [Fe4S4] Enzyme IspG (GcpE).
J.Mol.Biol., 427, 2015

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