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5W9M
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BU of 5w9m by Molmil
MERS S ectodomain trimer in complex with variable domain of neutralizing antibody G4
Descriptor: G4 VH, G4 VL, Spike glycoprotein
Authors:Pallesen, J, Ward, A.B.
Deposit date:2017-06-23
Release date:2017-08-16
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Immunogenicity and structures of a rationally designed prefusion MERS-CoV spike antigen.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
2QLH
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BU of 2qlh by Molmil
mPlum I65L mutant
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published
4YES
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BU of 4yes by Molmil
Thrombin in complex with (S)-(4-chloro-2-((1-(5-methyl-1H-pyrrole-2-carbonyl)pyrrolidine-2-carboxamido)methyl)phenyl)methanaminium
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Hirudin, ...
Authors:Orth, P.
Deposit date:2015-02-24
Release date:2015-06-17
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Improved Stability of Proline-Derived Direct Thrombin Inhibitors through Hydroxyl to Heterocycle Replacement.
Acs Med.Chem.Lett., 6, 2015
7CWO
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BU of 7cwo by Molmil
SARS-CoV-2 spike protein RBD and P17 fab complex
Descriptor: Spike glycoprotein, heavy chain of P17 Fab, light chain of P17 Fab
Authors:Wang, X, Wang, N.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
6WJ5
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BU of 6wj5 by Molmil
Structure of human TRPA1 in complex with inhibitor GDC-0334
Descriptor: (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide, Transient receptor potential cation channel subfamily A member 1
Authors:Rohou, A, Rouge, L, Arthur, C.P, Volgraf, M, Chen, H.
Deposit date:2020-04-11
Release date:2021-02-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:A TRPA1 inhibitor suppresses neurogenic inflammation and airway contraction for asthma treatment.
J.Exp.Med., 218, 2021
7MGK
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BU of 7mgk by Molmil
TNNI3K complexed with 1-(3,5-dichloro-4-((6-(methylamino)pyrimidin-4-yl)oxy)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
Descriptor: N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
2QLI
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BU of 2qli by Molmil
mPlum E16Q mutant
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published
7MGJ
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BU of 7mgj by Molmil
TNNI3K complexed with N-methyl-4-(4-(3-(3-(trifluoromethyl) phenyl) ureido) phenoxy)picolinamide
Descriptor: N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide, Serine/threonine-protein kinase TNNI3K
Authors:Shewchuk, L.M.
Deposit date:2021-04-12
Release date:2021-11-10
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Identification of Diarylurea Inhibitors of the Cardiac-Specific Kinase TNNI3K by Designing Selectivity Against VEGFR2, p38 alpha , and B-Raf.
J.Med.Chem., 64, 2021
7CWT
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BU of 7cwt by Molmil
SARS-CoV-2 Spike protein in complex with hb27 and fc05 Fab cocktail
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain Fab of FC05, Heavy chain Fab of HB27, ...
Authors:Cui, Z, Wang, X.
Deposit date:2020-08-31
Release date:2021-06-23
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
8E7E
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BU of 8e7e by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient
Descriptor: Transthyretin
Authors:Nguyen, B.A, Singh, V, Afrin, S, Saelices, L.
Deposit date:2022-08-23
Release date:2023-08-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.61 Å)
Cite:Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
8E7J
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BU of 8e7j by Molmil
Cryo-EM structure of cardiac amyloid fibril from a variant ATTR I84S amyloidosis patient
Descriptor: Transthyretin
Authors:Nguyen, B.A, Saelices, L.
Deposit date:2022-08-24
Release date:2023-08-30
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural polymorphism of amyloid fibrils in ATTR amyloidosis revealed by cryo-electron microscopy.
Nat Commun, 15, 2024
4FWI
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BU of 4fwi by Molmil
Crystal structure of the nucleotide-binding domain of a dipeptide ABC transporter
Descriptor: ABC-type dipeptide/oligopeptide/nickel transport system, ATPase component, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Li, X, Ge, J, Yang, M, Wang, N.
Deposit date:2012-07-01
Release date:2013-01-30
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.892 Å)
Cite:Structure of the nucleotide-binding domain of a dipeptide ABC transporter reveals a novel iron-sulfur cluster-binding domain
Acta Crystallogr.,Sect.D, 69, 2013
7BQY
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BU of 7bqy by Molmil
THE CRYSTAL STRUCTURE OF COVID-19 MAIN PROTEASE IN COMPLEX WITH AN INHIBITOR N3 at 1.7 angstrom
Descriptor: 3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Liu, X, Zhang, B, Jin, Z, Yang, H, Rao, Z.
Deposit date:2020-03-26
Release date:2020-04-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure of Mprofrom SARS-CoV-2 and discovery of its inhibitors.
Nature, 582, 2020
4XWW
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BU of 4xww by Molmil
Crystal structure of RNase J complexed with RNA
Descriptor: DR2417, GLYCEROL, MANGANESE (II) ION, ...
Authors:Lu, M, Zhang, H, Xu, Q, Hua, Y, Zhao, Y.
Deposit date:2015-01-29
Release date:2015-12-16
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into catalysis and dimerization enhanced exonuclease activity of RNase J
Nucleic Acids Res., 43, 2015
7W5Y
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BU of 7w5y by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with fpr promoter DNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
7W5X
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BU of 7w5x by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with zwf promoter DNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y, Shi, J.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
7W5W
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BU of 7w5w by Molmil
Cryo-EM structure of SoxS-dependent transcription activation complex with micF promoter DNA
Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ...
Authors:Lin, W, Feng, Y.
Deposit date:2021-11-30
Release date:2022-10-26
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (4.55 Å)
Cite:Structural basis of three different transcription activation strategies adopted by a single regulator SoxS.
Nucleic Acids Res., 50, 2022
4JOL
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BU of 4jol by Molmil
Complex structure of AML1-ETO NHR2 domain with HEB fragment
Descriptor: Protein CBFA2T1, Transcription factor 12
Authors:Wang, Z, Patel, D.J.
Deposit date:2013-03-18
Release date:2013-06-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.906 Å)
Cite:A stable transcription factor complex nucleated by oligomeric AML1-ETO controls leukaemogenesis.
Nature, 500, 2013
7CWU
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BU of 7cwu by Molmil
SARS-CoV-2 spike proteins trimer in complex with P17 and FC05 Fabs cocktail
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, N.
Deposit date:2020-08-31
Release date:2020-12-16
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Structure-based development of human antibody cocktails against SARS-CoV-2.
Cell Res., 31, 2021
7CWN
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BU of 7cwn by Molmil
P17-H014 Fab cocktail in complex with SARS-CoV-2 spike 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, Spike glycoprotein, ...
Authors:Wang, N, Wang, X.
Deposit date:2020-08-29
Release date:2020-12-16
Last modified:2021-01-13
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Rational development of a human antibody cocktail that deploys multiple functions to confer Pan-SARS-CoVs protection.
Cell Res., 31, 2021
6IVE
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BU of 6ive by Molmil
Molecular structure of a thermostable and a Zinc ion binding gamma-class carbonic anhydrase
Descriptor: Ferripyochelin-binding protein, PHOSPHATE ION, ZINC ION
Authors:Wang, W.M, Wang, H.F.
Deposit date:2018-12-03
Release date:2019-04-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular structure of thermostable and zinc-ion-binding gamma-class carbonic anhydrases.
Biometals, 32, 2019
7CMW
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BU of 7cmw by Molmil
Complex structure of PARP1 catalytic domain with pamiparib
Descriptor: (2R)-14-fluoro-2-methyl-6,9,10,19-tetrazapentacyclo[14.2.1.02,6.08,18.012,17]nonadeca-1(18),8,12(17),13,15-pentaen-11-one, GLYCEROL, Poly [ADP-ribose] polymerase 1
Authors:Feng, Y.C, Peng, H, Hong, Y, Liu, Y.
Deposit date:2020-07-29
Release date:2020-12-16
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Discovery of Pamiparib (BGB-290), a Potent and Selective Poly (ADP-ribose) Polymerase (PARP) Inhibitor in Clinical Development.
J.Med.Chem., 63, 2020
7XB0
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BU of 7xb0 by Molmil
Crystal structure of Omicron BA.2 RBD complexed with hACE2
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:Li, L, Liao, H, Meng, Y, Li, W.
Deposit date:2022-03-19
Release date:2022-07-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis of human ACE2 higher binding affinity to currently circulating Omicron SARS-CoV-2 sub-variants BA.2 and BA.1.1.
Cell, 185, 2022
4KFO
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BU of 4kfo by Molmil
Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (Nampt) Inhibitors
Descriptor: 1,2-ETHANEDIOL, N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-6-carboxamide, Nicotinamide phosphoribosyltransferase, ...
Authors:Zheng, X, Bauer, P, Baumeister, T, Buckmelter, A.J, Caligiuri, M, Clodfelter, K.H, Han, B, Ho, Y, Kley, N, Lin, J, Reynolds, D.J, Sharma, G, Smith, C.C, Wang, Z, Dragovich, P.S, Gunzner-Tosteb, J, Liederer, B.M, Ly, J, O'Brien, T, Oh, A, Wang, L, Wang, W, Xiao, Y, Zak, M, Zhao, G, Yuen, P, Bair, K.W.
Deposit date:2013-04-27
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-based identification of ureas as novel nicotinamide phosphoribosyltransferase (nampt) inhibitors.
J.Med.Chem., 56, 2013
2QLG
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BU of 2qlg by Molmil
mPlum
Descriptor: Fluorescent protein plum
Authors:Shu, X, Remington, S.J.
Deposit date:2007-07-12
Release date:2008-07-22
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Studies of Far-Red Emission in mPlum, a Monomeric Red Fluorescent Protein
To be Published

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