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7X2M
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BU of 7x2m by Molmil
Crystal structure of nanobody 1-2C7 with SARS-CoV-2 RBD
Descriptor: 1-2C7, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-D-mannopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-14
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2L
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BU of 7x2l by Molmil
Crystal structure of nanobody 3-2A2-4 with SARS-CoV-2 RBD
Descriptor: Nanobody 3-2A2-4, Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2J
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BU of 7x2j by Molmil
Crystal structure of nanobody Nb70 with SARS-CoV RBD
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Nb70, Spike protein S1
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
7X2K
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BU of 7x2k by Molmil
Crystal structure of nanobody Nb70 with antibody 1F11 fab and SARS-CoV-2 RBD
Descriptor: 1F11-H, 1F11-L, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X.Q, Zhang, L.Q, Ren, Y.F, Li, M.X.
Deposit date:2022-02-25
Release date:2022-12-21
Last modified:2023-06-28
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Broadly neutralizing and protective nanobodies against SARS-CoV-2 Omicron subvariants BA.1, BA.2, and BA.4/5 and diverse sarbecoviruses.
Nat Commun, 13, 2022
4Z55
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BU of 4z55 by Molmil
Anaplastic lymphoma kinase catalytic domain complexed with pyrazolopyrimidine derivative of LDK378
Descriptor: ALK tyrosine kinase receptor, GLYCEROL, N~6~-[5-methyl-4-(1-methylpiperidin-4-yl)-2-(propan-2-yloxy)phenyl]-N~4~-[2-(propan-2-ylsulfonyl)phenyl]-2H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Authors:Lee, C.C, Spraggon, G.
Deposit date:2015-04-02
Release date:2016-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Design and synthesis of novel selective anaplastic lymphoma kinase inhibitors.
Bioorg.Med.Chem.Lett., 26, 2016
3BEN
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BU of 3ben by Molmil
Structure of N-(12-imidazolyl-dodecanoyl)-L-leucine inhibitor bound to the heme domain of Cytochrome P450-BM3
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Cytochrome P450 102, MAGNESIUM ION, ...
Authors:Tomchick, D.R.
Deposit date:2007-11-19
Release date:2008-09-30
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structure of inhibitor-bound P450BM-3 reveals open conformation of substrate access channel.
Biochemistry, 47, 2008
8HS3
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BU of 8hs3 by Molmil
Gi bound orphan GPR20 in ligand-free state
Descriptor: Ggama, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:Lin, X, Jiang, S, Xu, F.
Deposit date:2022-12-16
Release date:2023-03-08
Last modified:2023-03-15
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:The activation mechanism and antibody binding mode for orphan GPR20.
Cell Discov, 9, 2023
8HOA
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BU of 8hoa by Molmil
ScRIPK mutant K124R
Descriptor: (2R,5R)-hexane-2,5-diol, ADENOSINE-5'-TRIPHOSPHATE, FORMIC ACID, ...
Authors:Fang, J.L, Zhang, M.Q, Ming, Z.H.
Deposit date:2022-12-09
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.676 Å)
Cite:Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HO6
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BU of 8ho6 by Molmil
ScRIPK WT
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ScRIPK kinase protein
Authors:Fang, J.L, Zhang, M.Q.
Deposit date:2022-12-09
Release date:2023-10-18
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
8HOD
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BU of 8hod by Molmil
ScRIPK MUTANT-S253A, T254A
Descriptor: ADENOSINE-5'-DIPHOSPHATE, GLYCEROL, Hypothetical protein
Authors:Fang, J.L, Zhang, M.Q.
Deposit date:2022-12-09
Release date:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Receptor-like cytoplasmic kinase ScRIPK in sugarcane regulates disease resistance and drought tolerance in Arabidopsis.
Front Plant Sci, 14, 2023
7TZL
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BU of 7tzl by Molmil
The DH dehydratase domain of AlnB
Descriptor: 3-oxoacyl-[acyl-carrier-protein] reductase
Authors:Swain, K, Blackson, W, Wang, B, Zhao, H, Nannenga, B.L.
Deposit date:2022-02-16
Release date:2023-02-22
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:The programming of alpha,beta-polyene biosynthesis by a bacterial iterative type I polyketide synthase
To Be Published
6OQ5
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BU of 6oq5 by Molmil
Structure of the full-length Clostridium difficile toxin B in complex with 3 VHHs
Descriptor: 5D, 7F, E3, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.87 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ7
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BU of 6oq7 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH E3
Descriptor: E3, MAGNESIUM ION, MANGANESE (II) ION, ...
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
7TXW
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BU of 7txw by Molmil
Crystal structure of the complex of the malaria sexual stage protein and vaccine target Pfs25 with the Fab fragment of a transmission blocking antibody 1G2
Descriptor: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ETHANOL, ...
Authors:Singh, K, Gittis, A.G, Garboczi, D.N.
Deposit date:2022-02-10
Release date:2023-04-12
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural and immunological differences in Plasmodium falciparum sexual stage transmission-blocking vaccines comprised of Pfs25-EPA nanoparticles.
Npj Vaccines, 8, 2023
6OQ8
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BU of 6oq8 by Molmil
Structure of the GTD domain of Clostridium difficile toxin B in complex with VHH 7F
Descriptor: 7F, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
6OQ6
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BU of 6oq6 by Molmil
Structure of the pore forming fragment of Clostridium difficile toxin B in complex with VHH 5D
Descriptor: 5D, Toxin B
Authors:Chen, P, Lam, K, Jin, R.
Deposit date:2019-04-25
Release date:2019-07-10
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.97 Å)
Cite:Structure of the full-length Clostridium difficile toxin B.
Nat.Struct.Mol.Biol., 26, 2019
7UNN
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BU of 7unn by Molmil
Thiol-disulfide oxidoreductase TsdA from Corynebacterium diphtheriae
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Thioredoxin domain-containing protein
Authors:Osipiuk, J, Reardon-Robinson, M, Nguyen, M.T, Sanchez, B, Ton-That, H, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2022-04-11
Release date:2022-04-20
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A cryptic oxidoreductase safeguards oxidative protein folding in Corynebacterium diphtheriae.
Proc.Natl.Acad.Sci.USA, 120, 2023
3FUS
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BU of 3fus by Molmil
Improved Structure of the Unliganded Simian Immunodeficiency Virus gp120 Core
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Chen, X, Poon, B, Wang, Q, Ma, J.
Deposit date:2009-01-14
Release date:2009-06-30
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural improvement of unliganded simian immunodeficiency virus gp120 core by normal-mode-based X-ray crystallographic refinement.
Acta Crystallogr.,Sect.D, 65, 2009
7SUS
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BU of 7sus by Molmil
Crystal structure of Apelin receptor in complex with small molecule
Descriptor: (1R,2S)-N-[4-(2,6-dimethoxyphenyl)-5-(6-methylpyridin-2-yl)-1,2,4-triazol-3-yl]-1-(5-methylpyrimidin-2-yl)-1-oxidanyl-propane-2-sulfonamide, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Apelin receptor, ...
Authors:Xu, F, Yue, Y, Liu, L.E, Han, G.W, Hanson, M.
Deposit date:2021-11-18
Release date:2022-07-27
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural insight into apelin receptor-G protein stoichiometry.
Nat.Struct.Mol.Biol., 29, 2022
7VSW
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BU of 7vsw by Molmil
Crystal structure of a Fab-like fragment of anti-mesothelin antibody
Descriptor: heavy chain, light chain
Authors:Yang, Z, Ying, T.
Deposit date:2021-10-27
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:Design of a Novel Fab-Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use.
Small Methods, 6, 2022
7VSU
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BU of 7vsu by Molmil
Crystal structure of Fab fragment of anti-mesothelin antibody
Descriptor: Light chain, heavy chain
Authors:Yang, Z, Ying, T.
Deposit date:2021-10-27
Release date:2021-12-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Design of a Novel Fab-Like Antibody Fragment with Enhanced Stability and Affinity for Clinical use.
Small Methods, 6, 2022
4FIN
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BU of 4fin by Molmil
Crystal Structure of EttA (formerly YjjK) - an E. coli ABC-type ATPase
Descriptor: CITRIC ACID, EttA (YjjK) ABCF family protein, GLYCEROL, ...
Authors:Smith, P, Yuan, Y, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2012-06-09
Release date:2013-07-03
Last modified:2014-03-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:The ABC-F protein EttA gates ribosome entry into the translation elongation cycle.
Nat.Struct.Mol.Biol., 21, 2014
4NAH
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BU of 4nah by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase (PPAT)
Descriptor: 2-[(2-{(1S,2S)-2-[(3,4-dichlorobenzyl)carbamoyl]cyclohexyl}-6-ethylpyrimidin-4-yl)sulfanyl]-1H-imidazole-5-carboxylic acid, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Discovery of inhibitors of 4'-phosphopantetheine adenylyltransferase (PPAT) to validate PPAT as a target for antibacterial therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAU
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BU of 4nau by Molmil
S. aureus CoaD with Inhibitor
Descriptor: 2-[2-[(1S,2S)-2-[(3,4-dichlorophenyl)methylcarbamoyl]cyclohexyl]-6-ethyl-pyrimidin-4-yl]-4-oxidanyl-6-oxidanylidene-1H-pyrimidine-5-carboxamide, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Phosphopantetheine adenylyltransferase
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013
4NAT
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BU of 4nat by Molmil
Inhibitors of 4-Phosphopanthetheine Adenylyltransferase
Descriptor: (1R,2R)-N-(3,4-dichlorobenzyl)-2-(4,6-dimethoxypyrimidin-2-yl)cyclohexanecarboxamide, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, ...
Authors:Lahiri, S.D.
Deposit date:2013-10-22
Release date:2014-03-12
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Discovery of Inhibitors of 4'-Phosphopantetheine Adenylyltransferase (PPAT) To Validate PPAT as a Target for Antibacterial Therapy.
Antimicrob.Agents Chemother., 57, 2013

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