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8Y2D
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BU of 8y2d by Molmil
Cryo-EM structure of human dopamine transporter in complex with dopamine
Descriptor: CHLORIDE ION, L-DOPAMINE, SODIUM ION, ...
Authors:Zhao, Y, Li, Y.
Deposit date:2024-01-25
Release date:2024-08-14
Last modified:2024-08-28
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Dopamine reuptake and inhibitory mechanisms in human dopamine transporter.
Nature, 632, 2024
4UAI
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BU of 4uai by Molmil
Crystal structure of CXCL12 in complex with inhibitor
Descriptor: 1-phenyl-3-[4-(1H-tetrazol-5-yl)phenyl]urea, SULFATE ION, Stromal cell-derived factor 1
Authors:Smith, E.W, Chen, Y.
Deposit date:2014-08-09
Release date:2014-11-12
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Analysis of a Novel Small Molecule Ligand Bound to the CXCL12 Chemokine.
J.Med.Chem., 57, 2014
1NX4
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BU of 1nx4 by Molmil
The crystal structure of carbapenem synthase (CarC)
Descriptor: 2-OXOGLUTARIC ACID, Carbapenem synthase, FE (III) ION
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-08
Release date:2003-06-17
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
1NX8
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BU of 1nx8 by Molmil
Structure of carbapenem synthase (CarC) complexed with N-acetyl proline
Descriptor: 1-ACETYL-L-PROLINE, 2-OXOGLUTARIC ACID, Carbapenem synthase, ...
Authors:Clifton, I.J, Doan, L.X, Sleeman, M.C, Topf, M, Suzuki, H, Wilmouth, R.C, Schofield, C.J.
Deposit date:2003-02-10
Release date:2003-06-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of carbapenem synthase (CarC).
J.Biol.Chem., 278, 2003
6DWO
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BU of 6dwo by Molmil
Crystal structure of alpha-1-2-mannosidase from Enterococcus faecalis V583
Descriptor: ACETATE ION, Alpha-1,2-mannosidase, CALCIUM ION, ...
Authors:Fisher, A.J, Li, Y.
Deposit date:2018-06-26
Release date:2019-10-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Enterococcus faecalis alpha 1-2-mannosidase (EfMan-I): an efficient catalyst for glycoprotein N-glycan modification.
Febs Lett., 594, 2020
6I44
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BU of 6i44 by Molmil
Allosteric activation of human prekallikrein by apple domain disc rotation
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Li, C, Pathak, M, MaCrae, K, Dreveny, I, Emsley, J.
Deposit date:2018-11-09
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
6I58
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BU of 6i58 by Molmil
Allosteric activation of human prekallikrein by apple domain disc rotation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Li, C, Pathak, M, McCrae, K, Dreveny, I, Emsley, J.
Deposit date:2018-11-13
Release date:2019-03-06
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J.Thromb.Haemost., 17, 2019
7QOX
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BU of 7qox by Molmil
Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ...
Authors:Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J.
Deposit date:2021-12-29
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
7QOT
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BU of 7qot by Molmil
Factor XI and Plasma Kallikrein apple domain structures reveals different kininogen bound complexes
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa heavy chain, Kininogen-1 light chain, ...
Authors:Li, C, Awital, B, Wong, S, Dreveny, I, Meijers, J, Emsley, J.
Deposit date:2021-12-28
Release date:2023-01-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.24 Å)
Cite:Plasma kallikrein structure reveals apple domain disc rotated conformation compared to factor XI.
J Thromb Haemost, 17, 2019
8HGH
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BU of 8hgh by Molmil
Structure of 2:2 PAPP-A.STC2 complex
Descriptor: Maltose/maltodextrin-binding periplasmic protein,Pappalysin-1, Stanniocalcin-2, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (4.16 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8HGG
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BU of 8hgg by Molmil
Structure of 2:2 PAPP-A.ProMBP complex
Descriptor: Bone marrow proteoglycan, Pappalysin-1, ZINC ION
Authors:Zhong, Q.H, Chu, H.L, Wang, G.P, Zhang, C, Wei, Y, Qiao, J, Hang, J.
Deposit date:2022-11-14
Release date:2023-01-11
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural insights into the covalent regulation of PAPP-A activity by proMBP and STC2.
Cell Discov, 8, 2022
8WGV
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BU of 8wgv by Molmil
BA.2(S375) Spike (S6P)/hACE2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.92 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
8WGW
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BU of 8wgw by Molmil
Local refinement of RBD-ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, ...
Authors:Wei, X, Zhang, Z.
Deposit date:2023-09-22
Release date:2024-02-28
Last modified:2024-04-24
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:The receptor binding domain of SARS-CoV-2 Omicron subvariants targets Siglec-9 to decrease its immunogenicity by preventing macrophage phagocytosis.
Nat.Immunol., 25, 2024
4RAX
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BU of 4rax by Molmil
A regulatory domain of an ion channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Ge, J, Yang, M.
Deposit date:2014-09-11
Release date:2015-09-23
Last modified:2018-04-18
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Architecture of the mammalian mechanosensitive Piezo1 channel.
Nature, 527, 2015
3JAC
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BU of 3jac by Molmil
Cryo-EM study of a channel
Descriptor: Piezo-type mechanosensitive ion channel component 1
Authors:Ge, J, Li, W, Zhao, Q, Li, N, Xiao, B, Gao, N, Yang, M.
Deposit date:2015-06-05
Release date:2015-09-23
Last modified:2019-12-18
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Architecture of the mammalian mechanosensitive Piezo1 channel
Nature, 527, 2015
5YOF
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BU of 5yof by Molmil
Crystal structure of zika virus NS3 protease in complex with a dipeptide inhibitor
Descriptor: (S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide, NS2B cofactor, NS3 Protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
5YOD
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BU of 5yod by Molmil
Crystal structure of zika virus NS3 protease in complex with a small molecule inhibitor
Descriptor: BENZOIC ACID, NS2B cofactor, NS3 protease
Authors:Phoo, W.W, Zhang, Z.Z.
Deposit date:2017-10-27
Release date:2018-03-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Insights into the Inhibition of Zika Virus NS2B-NS3 Protease by a Small-Molecule Inhibitor
Structure, 26, 2018
8JAO
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BU of 8jao by Molmil
Crystal structure of B1 IMP-1 MBL in complex with 2-amino-5-phenethylthiazole-4-carboxylic acid
Descriptor: 2-azanyl-5-(2-phenylethyl)-1,3-thiazole-4-carboxylic acid, Beta-lactamase, ZINC ION
Authors:Yan, Y.-H, Li, G.-B.
Deposit date:2023-05-06
Release date:2023-11-01
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Discovery of 2-Aminothiazole-4-carboxylic Acids as Broad-Spectrum Metallo-beta-lactamase Inhibitors by Mimicking Carbapenem Hydrolysate Binding.
J.Med.Chem., 66, 2023
1QBS
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BU of 1qbs by Molmil
HIV-1 PROTEASE INHIBITORS WIIH LOW NANOMOLAR POTENCY
Descriptor: HIV-1 PROTEASE, [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6-BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)-4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE
Authors:Ala, P, Chang, C.-H.
Deposit date:1997-04-25
Release date:1997-10-15
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Cyclic HIV protease inhibitors: synthesis, conformational analysis, P2/P2' structure-activity relationship, and molecular recognition of cyclic ureas.
J.Med.Chem., 39, 1996
3BJ1
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BU of 3bj1 by Molmil
met-Perch Hemoglobin at pH 5.7
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3BJ2
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BU of 3bj2 by Molmil
met-Perch Hemoglobin at pH 6.3
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
3BJ3
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BU of 3bj3 by Molmil
met-Perch hemoglobin at pH 8.0
Descriptor: ACETYL GROUP, PROTOPORPHYRIN IX CONTAINING FE, hemoglobin alpha, ...
Authors:Aranda IV, R, Cai, H, Levin, E.J, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-12-02
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008
4Q2V
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BU of 4q2v by Molmil
Crystal Structure of Ricin A chain complexed with Baicalin inhibitor
Descriptor: 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid, Ricin
Authors:Deng, X, Li, X, Dong, J, Chen, Y.
Deposit date:2014-04-10
Release date:2015-04-15
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Baicalin inhibits the lethality of ricin in mice by inducing protein oligomerization.
J.Biol.Chem., 290, 2015
5YJ6
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BU of 5yj6 by Molmil
The exoglucanase CelS from Clostridium thermocellum
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol, Dockerin type I repeat-containing protein
Authors:Liu, Y.J, Liu, S.Y, Dong, S, Li, R.M, Feng, Y.G, Cui, Q.
Deposit date:2017-10-09
Release date:2018-01-31
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Determination of the native features of the exoglucanase Cel48S from Clostridium thermocellum
Biotechnol Biofuels, 11, 2018
2QSS
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BU of 2qss by Molmil
Bovine hemoglobin at pH 6.3
Descriptor: CARBON MONOXIDE, Hemoglobin subunit alpha, Hemoglobin subunit beta, ...
Authors:Aranda IV, R, Richards, M.P, Phillips Jr, G.N.
Deposit date:2007-07-31
Release date:2008-09-02
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of fish versus mammalian hemoglobins: Effect of the heme pocket environment on autooxidation and hemin loss.
Proteins, 75, 2008

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