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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
7XNS
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BU of 7xns 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 (3.48 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIW
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BU of 7xiw by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 1)
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 (3.62 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7XIX
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BU of 7xix by Molmil
SARS-CoV-2 Omicron BA.2 variant spike (state 2)
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 (3.25 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
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
7XNR
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BU of 7xnr by Molmil
SARS-CoV-2 Omicron BA.2.13 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 (3.49 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
4JIK
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BU of 4jik by Molmil
X-RAY Crystal structure of compound 22a (R)-2-(4-chlorophenyl)-8-(piperidin-3-ylamino)imidazo[1,2-c]pyrimidine-5-carboxamide bound to human chk1 kinase domain
Descriptor: 2-(4-chlorophenyl)-8-[(3S)-piperidin-3-ylamino]imidazo[1,2-c]pyrimidine-5-carboxamide, Serine/threonine-protein kinase Chk1
Authors:Fischmann, T.O.
Deposit date:2013-03-06
Release date:2013-04-17
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Potency switch between CHK1 and MK2: discovery of imidazo[1,2-a]pyrazine- and imidazo[1,2-c]pyrimidine-based kinase inhibitors.
Bioorg.Med.Chem.Lett., 23, 2013
7WRZ
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BU of 7wrz by Molmil
Local resolution of BD55-5840 Fab and SARS-COV2 Omicron RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-5840H, BD55-5840L, ...
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-28
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRO
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BU of 7wro by Molmil
Local structure of BD55-3372 and delta spike
Descriptor: 3372H, 3372L, Spike protein S1
Authors:Liu, P.L.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WRL
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BU of 7wrl by Molmil
Local structure of BD55-1239 Fab and SARS-COV2 Omicron RBD complex
Descriptor: BD55-1239H, BD55-1239L, Spike protein S1
Authors:Zhang, Z.Z, Xiao, J.J.
Deposit date:2022-01-27
Release date:2022-06-22
Last modified:2022-08-31
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:BA.2.12.1, BA.4 and BA.5 escape antibodies elicited by Omicron infection.
Nature, 608, 2022
7WR8
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BU of 7wr8 by Molmil
Local CryoEM structure of the SARS-CoV-2 S6P(B.1.1.529) in complex with BD55-3152 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, BD55-3152H, BD55-3152L, ...
Authors:Du, S, Xiao, J.Y.
Deposit date:2022-01-26
Release date:2022-06-22
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
4XFQ
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BU of 4xfq by Molmil
Crystal Structure Basis for PEDV 3C Like Protease
Descriptor: PEDV main protease
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2014-12-28
Release date:2016-01-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
4ZUH
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BU of 4zuh by Molmil
Complex structure of PEDV 3CLpro mutant (C144A) with a peptide substrate.
Descriptor: PEDV 3C-Like protease, peptide substrate SAVLQSGF
Authors:Ye, G, Fu, Z.F, Peng, G.Q.
Deposit date:2015-05-16
Release date:2016-06-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.394 Å)
Cite:Structural basis for the dimerization and substrate recognition specificity of porcine epidemic diarrhea virus 3C-like protease.
Virology, 494, 2016
7TVB
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BU of 7tvb by Molmil
Stat5A Core in Complex with AK305
Descriptor: GLYCEROL, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, Signal transducer and activator of transcription 5A
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.653 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7TVA
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BU of 7tva by Molmil
Stat5a Core in complex with AK2292
Descriptor: DI(HYDROXYETHYL)ETHER, MALONATE ION, N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide, ...
Authors:Meagher, J.L, Stuckey, J.A.
Deposit date:2022-02-04
Release date:2023-02-15
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.835 Å)
Cite:A selective small-molecule STAT5 PROTAC degrader capable of achieving tumor regression in vivo.
Nat.Chem.Biol., 19, 2023
7D68
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BU of 7d68 by Molmil
Cryo-EM structure of the human glucagon-like peptide-2 receptor-Gs protein complex
Descriptor: Glucagon-like peptide 2 receptor, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ...
Authors:Sun, W, Chen, L, Zhou, Q, Zhao, L, Zhang, H, Cong, Z, Shen, D, Zhao, F, Zhou, F, Cai, X, Chen, Y, Zhou, Y, Gadgaard, S, van der Velden, W.J, Zhao, S, Jiang, Y, Rosenkilde, M.M, Yang, D, Xu, H.E, Zhang, Y, Wang, M.
Deposit date:2020-09-29
Release date:2020-12-16
Method:ELECTRON MICROSCOPY (3 Å)
Cite:A unique hormonal recognition feature of the human glucagon-like peptide-2 receptor.
Cell Res., 30, 2020
7W3U
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BU of 7w3u by Molmil
USP34 catalytic domain in complex with UbPA
Descriptor: Polyubiquitin-B, Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION, ...
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2021-11-26
Release date:2022-06-01
Last modified:2024-04-24
Method:X-RAY DIFFRACTION (3.13 Å)
Cite:Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
7W3R
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BU of 7w3r by Molmil
USP34 catalytic domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 34, ZINC ION
Authors:Xu, G.L, Ming, Z.H.
Deposit date:2021-11-26
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Structural Insights into the Catalytic Mechanism and Ubiquitin Recognition of USP34.
J.Mol.Biol., 434, 2022
2PIY
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BU of 2piy by Molmil
CRYSTAL STRUCTURE OF ACTIVATED PORCINE PANCREATIC CARBOXYPEPTIDASE B (S)-2-(3-Aminomethyl-phenyl)-3-{hydroxy-[(R)-2-methyl-1-(3-phenyl-propane-1-sulfonylamino)-propyl]-phosphinoyl}-propionic acid {ZK 528} COMPLEX
Descriptor: (2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(R)-HYDROXY[(1R)-2-METHYL-1-{[(3-PHENYLPROPYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID, Carboxypeptidase B, ZINC ION
Authors:Adler, M, Whitlow, M.
Deposit date:2007-04-15
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.43 Å)
Cite:Structures of potent selective peptide mimetics bound to carboxypeptidase B.
Acta Crystallogr.,Sect.D, 64, 2008
6WB4
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BU of 6wb4 by Molmil
Microbiome-derived Acarbose Kinase Mak1 Labeled with selenomethionine
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ADENOSINE-5'-TRIPHOSPHATE, Acarbose Kinase Mak1, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2021-12-15
Method:X-RAY DIFFRACTION (2.593 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB5
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BU of 6wb5 by Molmil
Microbiome-derived Acarbose Kinase Mak1 as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose Kinase Mak1, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.102 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WB7
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BU of 6wb7 by Molmil
Acarbose Kinase AcbK as a Complex with Acarbose and AMP-PNP
Descriptor: 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, Acarbose 7(IV)-phosphotransferase, MANGANESE (II) ION, ...
Authors:Jeffrey, P.D, Balaich, J.N, Estrella, M.A, Donia, M.S.
Deposit date:2020-03-26
Release date:2021-04-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:The human microbiome encodes resistance to the antidiabetic drug acarbose.
Nature, 600, 2021
6WY5
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BU of 6wy5 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.898 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020
6WY7
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BU of 6wy7 by Molmil
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine, CALCIUM ION, ...
Authors:Khan, J.A.
Deposit date:2020-05-12
Release date:2020-10-14
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.089 Å)
Cite:Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
Bioorg.Med.Chem., 28, 2020

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