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8XJ6
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BU of 8xj6 by Molmil
The Cryo-EM structure of MPXV E5 apo conformation
Descriptor: AMP PHOSPHORAMIDATE, Monkeypox virus E5, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Zhang, W, Liu, Y, Gao, H, Gan, J.
Deposit date:2023-12-20
Release date:2024-05-01
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
7NEI
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BU of 7nei by Molmil
Polyester Hydrolase Leipzig 7 (PHL7) in the unliganded state
Descriptor: Polyester Hydrolase Leipzig 7 (PHL-7), SODIUM ION
Authors:Richter, P.K, Strater, N.
Deposit date:2021-02-04
Release date:2021-06-23
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Low Carbon Footprint Recycling of Post-Consumer PET Plastic with a Metagenomic Polyester Hydrolase.
ChemSusChem, 15, 2022
7YNX
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BU of 7ynx by Molmil
Crystal structure of Pirh2 bound to poly-Ala peptide
Descriptor: RING finger and CHY zinc finger domain-containing protein 1, SODIUM ION, SULFATE ION, ...
Authors:Dong, C, Yan, X, Li, Y.
Deposit date:2022-08-01
Release date:2023-04-26
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Recognition of an Ala-rich C-degron by the E3 ligase Pirh2.
Nat Commun, 14, 2023
8XIF
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BU of 8xif by Molmil
The crystal structure of the AEP domain of VACV D5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8TTZ
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BU of 8ttz by Molmil
Crystal structure of monkey TLR7 ectodomain with compound 20
Descriptor: (3S)-3-({5-amino-1-[(2-methoxy-4-{[(oxan-4-yl)amino]methyl}phenyl)methyl]-1H-pyrazolo[4,3-d]pyrimidin-7-yl}amino)hexan-1-ol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Critton, D.A.
Deposit date:2023-08-15
Release date:2024-02-07
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Discovery of Novel TLR7 Agonists as Systemic Agent for Combination With aPD1 for Use in Immuno-oncology.
Acs Med.Chem.Lett., 15, 2024
8XIG
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BU of 8xig by Molmil
The crystal structure of the AEP domain of MPXV E5
Descriptor: MAGNESIUM ION, PYROPHOSPHATE, Uncoating factor OPG117
Authors:Gan, J, Zhang, W.
Deposit date:2023-12-19
Release date:2024-05-01
Last modified:2024-07-10
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural and functional insights into the helicase protein E5 of Mpox virus.
Cell Discov, 10, 2024
8YXL
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BU of 8yxl by Molmil
Structure of C-terminal domain of L protein from Mumps virus
Descriptor: RNA-directed RNA polymerase L
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.13 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8YXP
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BU of 8yxp by Molmil
Structure of mumps virus L protein (state2)
Descriptor: RNA-directed RNA polymerase L, ZINC ION
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8YXO
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BU of 8yxo by Molmil
Structure of Phosphoprotein tetramer from mumps virus
Descriptor: Phosphoprotein
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.49 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8YXR
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BU of 8yxr by Molmil
Structure of Phosphoprotein Tetramer from mumps virus
Descriptor: Phosphoprotein
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8WPU
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BU of 8wpu by Molmil
Human calcium-sensing receptor(CaSR) bound to cinacalcet in complex with Gq protein
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8WPG
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BU of 8wpg by Molmil
Human calcium-sensing receptor bound with cinacalcet in detergent
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Ling, S.L, Meng, X.Y, Tian, C.L.
Deposit date:2023-10-10
Release date:2023-11-22
Last modified:2024-02-21
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural insights into asymmetric activation of the calcium-sensing receptor-G q complex.
Cell Res., 34, 2024
8X01
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BU of 8x01 by Molmil
Structure of the Mumps Virus L Protein (state2) Bound by Phosphoprotein Tetramer
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
Authors:Li, T.H, Shen, Q.T.
Deposit date:2023-11-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
8YXM
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BU of 8yxm by Molmil
Structure of N-terminal domain of L protein bound with Phosphoprotein from Mumps Virus
Descriptor: Phosphoprotein, RNA-directed RNA polymerase L, ZINC ION
Authors:Li, T.H, Shen, Q.T.
Deposit date:2024-04-02
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Structures of the mumps virus polymerase complex via cryo-electron microscopy.
Nat Commun, 15, 2024
6X5Y
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BU of 6x5y by Molmil
IDO1 in complex with compound 4
Descriptor: 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide, Indoleamine 2,3-dioxygenase 1
Authors:Lesburg, C.A, Lammens, A.
Deposit date:2020-05-27
Release date:2021-06-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Utilization of MetID and Structural Data to Guide Placement of Spiro and Fused Cyclopropyl Groups for the Synthesis of Low Dose IDO1 Inhibitors
To Be Published
3CTJ
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BU of 3ctj by Molmil
Crystal structure of the tyrosine kinase domain of the hepatocyte growth factor receptor c-met in complex with a aminopyridine based inhibitor
Descriptor: 2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide, Hepatocyte growth factor receptor
Authors:Sack, J.
Deposit date:2008-04-14
Release date:2008-06-10
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Discovery of orally active pyrrolopyridine- and aminopyridine-based Met kinase inhibitors
Bioorg.Med.Chem.Lett., 18, 2008
5W5Q
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BU of 5w5q by Molmil
MAP4K4 in complex with inhibitor compound 12 (N3-methyl-10-(3-methyl-3-(5-methyloxazol-2-yl)but-1-yn-1-yl)-6,7-dihydro-5H-5,7-methanobenzo[c]imidazo[1,2-a]azepine-2,3-dicarboxamide)
Descriptor: (5s,7s)-N~3~-methyl-10-[3-methyl-3-(5-methyl-1,3-oxazol-2-yl)but-1-yn-1-yl]-6,7-dihydro-5H-5,7-methanoimidazo[2,1-a][2]benzazepine-2,3-dicarboxamide, Mitogen-activated protein kinase kinase kinase kinase 4
Authors:Harris, S.F, Wu, P.
Deposit date:2017-06-15
Release date:2018-06-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure Based Design of Potent Selective Inhibitors of Protein Kinase D1 (PKD1).
Acs Med.Chem.Lett., 10, 2019
5VZQ
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BU of 5vzq by Molmil
Sperm whale myoglobin V68A/I107Y with nitric oxide
Descriptor: Myoglobin, NITRIC OXIDE, NITRITE ION, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5VZO
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BU of 5vzo by Molmil
Sperm whale myoglobin H64A with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
5VZP
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BU of 5vzp by Molmil
Sperm whale myoglobin H64Q with nitric oxide
Descriptor: GLYCEROL, Myoglobin, NITRIC OXIDE, ...
Authors:Wang, B, Thomas, L.M, Richter-Addo, G.B.
Deposit date:2017-05-29
Release date:2018-06-06
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Nitrosyl Myoglobins and Their Nitrite Precursors: Crystal Structural and Quantum Mechanics and Molecular Mechanics Theoretical Investigations of Preferred Fe -NO Ligand Orientations in Myoglobin Distal Pockets.
Biochemistry, 57, 2018
6LNQ
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BU of 6lnq by Molmil
The co-crystal structure of SARS-CoV 3C Like Protease with aldehyde inhibitor M7
Descriptor: N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide, Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-01
Release date:2020-05-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.244 Å)
Cite:Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
6LO0
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BU of 6lo0 by Molmil
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C Like Protease with aldehyde M14
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-02
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.939 Å)
Cite:Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020
7YPE
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BU of 7ype by Molmil
Crystal structure of AsfvPCNA in space group of P63
Descriptor: E301R, GLYCEROL
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-07-26
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
7YPF
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BU of 7ypf by Molmil
Crystal structure of AsfvPCNA in space group of P1
Descriptor: E301R
Authors:Shao, Z.W, Gan, J.H.
Deposit date:2022-08-03
Release date:2023-08-02
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural and functional studies of PCNA from African swine fever virus.
J.Virol., 97, 2023
6LNY
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BU of 6lny by Molmil
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C-Like Protease with aldehyde M15
Descriptor: (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide, Replicase polyprotein 1a
Authors:Wang, H, Shang, L.Q.
Deposit date:2020-01-02
Release date:2020-05-27
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.245 Å)
Cite:Comprehensive Insights into the Catalytic Mechanism of Middle East Respiratory Syndrome 3C-Like Protease and Severe Acute Respiratory Syndrome 3C-Like Protease.
Acs Catalysis, 10, 2020

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数据于2024-07-17公开中

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