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2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
Authors:Blanchard, H.
Deposit date:2006-08-16
Release date:2007-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
4B7I
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BU of 4b7i by Molmil
Crystal Structure of Human IgG Fc Bearing Hybrid-type Glycans
Descriptor: CHLORIDE ION, IG GAMMA-1 CHAIN C REGION, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]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:Bowden, T.A, Baruah, K, Coles, C.H, Harvey, D.J, Song, B.D, Stuart, D.I, Aricescu, A.R, Scanlan, C.N, Jones, E.Y, Crispin, M.
Deposit date:2012-08-20
Release date:2012-10-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Chemical and Structural Analysis of an Antibody Folding Intermediate Trapped During Glycan Biosynthesis.
J.Am.Chem.Soc., 134, 2012
6TKB
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BU of 6tkb by Molmil
ChiLob 7/4 H2 HC-C224S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C224S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKD
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BU of 6tkd by Molmil
ChiLob 7/4 H2 HC-C228S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C228S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKE
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BU of 6tke by Molmil
ChiLob 7/4 H2 HC-C224S Kappa LC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 heavy chain C224S, ChiLob 7/4 H2 kappa chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKF
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BU of 6tkf by Molmil
ChiLob 7/4 H2 HC-C225S KappaLC-C214S F(ab')2
Descriptor: ChiLob 7/4 H2 Heavy chain C225S, ChiLob 7/4 H2 Kappa light chain C214S
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6TKC
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BU of 6tkc by Molmil
ChiLob 7/4 H2 HC-C225S F(ab')2
Descriptor: Chilob 7/4 H2 heavy chain C225S, Chilob 7/4 H2 kappa chain
Authors:Orr, C.M, Fisher, H, Tews, I.
Deposit date:2019-11-28
Release date:2021-06-09
Last modified:2022-12-21
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Hinge disulfides in human IgG2 CD40 antibodies modulate receptor signaling by regulation of conformation and flexibility.
Sci Immunol, 7, 2022
6VW8
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BU of 6vw8 by Molmil
Formate Dehydrogenase FdsABG subcomplex FdsBG from C. necator
Descriptor: FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, IRON/SULFUR CLUSTER, ...
Authors:Young, T.
Deposit date:2020-02-18
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
J.Biol.Chem., 295, 2020
6VW7
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BU of 6vw7 by Molmil
Formate Dehydrogenase FdsABG subcomplex FdsBG from C. necator - NADH bound
Descriptor: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, FE2/S2 (INORGANIC) CLUSTER, FLAVIN MONONUCLEOTIDE, ...
Authors:Young, T.
Deposit date:2020-02-18
Release date:2020-04-08
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic and kinetic analyses of the FdsBG subcomplex of the cytosolic formate dehydrogenase FdsABG fromCupriavidus necator.
J.Biol.Chem., 295, 2020
5ZT1
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BU of 5zt1 by Molmil
Structure of the bacterial pathogens ATPase with substrate ATP gamma S
Descriptor: MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, Probable ATP synthase SpaL/MxiB, ...
Authors:Gao, X.P, Mu, Z.X, Cui, S.
Deposit date:2018-05-01
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.114 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
1C9Y
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BU of 1c9y by Molmil
HUMAN ORNITHINE TRANSCARBAMYLASE: CRYSTALLOGRAPHIC INSIGHTS INTO SUBSTRATE RECOGNITION AND CATALYTIC MECHANISM
Descriptor: NORVALINE, ORNITHINE CARBAMOYLTRANSFERASE, PHOSPHORIC ACID MONO(FORMAMIDE)ESTER
Authors:Shi, D, Yu, X, Morizono, H, Tuchman, M, Allewell, N.M.
Deposit date:1999-08-03
Release date:2000-06-06
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of human ornithine transcarbamylase complexed with carbamoyl phosphate and L-norvaline at 1.9 A resolution.
Proteins, 39, 2000
4ZLS
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BU of 4zls by Molmil
HIV-1 wild Type protease with GRL-096-13A (a Boc-derivative P2-Ligand, 3,-5-dimethylbiphenyl P1-Ligand)
Descriptor: ACETATE ION, CHLORIDE ION, Protease, ...
Authors:Wang, Y.-F, Agniswamy, J, Weber, I.T.
Deposit date:2015-05-01
Release date:2015-07-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Structure-Based Design of Potent HIV-1 Protease Inhibitors with Modified P1-Biphenyl Ligands: Synthesis, Biological Evaluation, and Enzyme-Inhibitor X-ray Structural Studies.
J.Med.Chem., 58, 2015
8H08
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BU of 8h08 by Molmil
SARS-CoV-2 BA.1 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
8H07
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BU of 8h07 by Molmil
SARS-CoV-2 BA.4 variants S ectodomain trimer in complex with neutralizing antibody 10-5B and 6-2C
Descriptor: 10-5B H chain, 10-5B L chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-09-28
Release date:2023-05-31
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-02-25
Release date:2023-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
6M1J
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BU of 6m1j by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12x
Descriptor: 1-[5-[6-fluoranyl-8-(methylamino)-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]cyclopropane-1-carboxylic acid, DIMETHYL SULFOXIDE, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6M1S
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BU of 6m1s by Molmil
The DNA Gyrase B ATP binding domain of PSEUDOMONAS AERUGINOSA in complex with compound 12o
Descriptor: 3-[5-[8-(ethylamino)-6-fluoranyl-4-[3-(trifluoromethyl)pyrazol-1-yl]-9H-pyrido[2,3-b]indol-3-yl]pyrimidin-2-yl]oxy-2,2-dimethyl-propanoic acid, CHLORIDE ION, DNA gyrase subunit B, ...
Authors:Xu, Z.H, Zhou, Z.
Deposit date:2020-02-26
Release date:2020-09-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.254 Å)
Cite:Discovery of Pyrido[2,3-b]indole Derivatives with Gram-Negative Activity Targeting Both DNA Gyrase and Topoisomerase IV.
J.Med.Chem., 63, 2020
6KRG
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BU of 6krg by Molmil
Crystal structure of sfGFP Y182TMSiPhe
Descriptor: CHLORIDE ION, GLYCEROL, Green fluorescent protein, ...
Authors:Sun, J.P, Wang, J.Y, Zhu, Z.L, He, Q.T, Xiao, P.
Deposit date:2019-08-21
Release date:2020-09-09
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:DeSiphering receptor core-induced and ligand-dependent conformational changes in arrestin via genetic encoded trimethylsilyl 1 H-NMR probe.
Nat Commun, 11, 2020
5FHY
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BU of 5fhy by Molmil
Crystal structure of FliD (HAP2) from Pseudomonas aeruginosa PAO1
Descriptor: B-type flagellar hook-associated protein 2, SODIUM ION
Authors:Postel, S, Bonsor, D, Diederichs, K, Sundberg, E.J.
Deposit date:2015-12-22
Release date:2016-10-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.201 Å)
Cite:Bacterial flagellar capping proteins adopt diverse oligomeric states.
Elife, 5, 2016
5GWV
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BU of 5gwv by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with a substrate analogue
Descriptor: (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoic acid, MoeN5,DNA-binding protein 7d
Authors:Ko, T.-P, Guo, R.-T, Chen, C.-C.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
5GWW
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BU of 5gww by Molmil
Structure of MoeN5-Sso7d fusion protein in complex with a permethylated substrate analogue
Descriptor: MoeN5,DNA-binding protein 7d, methyl (2R)-3-dimethoxyphosphoryloxy-2-[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propanoate
Authors:Ko, T.-P, Guo, R.-T, Chen, C.-C.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Complex structures of MoeN5 with substrate analogues suggest sequential catalytic mechanism.
Biochem. Biophys. Res. Commun., 511, 2019
5IJ7
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BU of 5ij7 by Molmil
Structure of Hs/AcPRC2 in complex with a pyridone inhibitor
Descriptor: 5,8-dichloro-2-[(4-ethyl-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-7-({1-[(2R)-2-hydroxypropanoyl]piperidin-4-yl}oxy)-3,4-dihydroisoquinolin-1(2H)-one, Enhancer of Zeste Homolog 2 (EZH2),Histone-lysine N-methyltransferase EZH2, Polycomb protein EED, ...
Authors:Gajiwala, K.S, Brooun, A, Deng, Y.-L, Liu, W.
Deposit date:2016-03-01
Release date:2016-05-04
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Polycomb repressive complex 2 structure with inhibitor reveals a mechanism of activation and drug resistance.
Nat Commun, 7, 2016
5YBH
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BU of 5ybh by Molmil
Structural of the highly conserved ATPase from type III secretion system of bacterial pathogens
Descriptor: MAGNESIUM ION, Probable ATP synthase SpaL/MxiB, SULFATE ION
Authors:Mu, Z, Gao, X, Cui, S.
Deposit date:2017-09-05
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insight Into Conformational Changes Induced by ATP Binding in a Type III Secretion-Associated ATPase FromShigella flexneri
Front Microbiol, 9, 2018
6S3Q
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BU of 6s3q by Molmil
Structure of human excitatory amino acid transporter 3 (EAAT3) in complex with TFB-TBOA
Descriptor: (2~{S},3~{S})-2-azanyl-3-[[3-[[4-(trifluoromethyl)phenyl]carbonylamino]phenyl]methoxy]butanedioic acid, 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, CHOLESTEROL HEMISUCCINATE, ...
Authors:Baronina, A, Pike, A.C.W, Yu, X, Dong, Y.Y, Shintre, C.A, Tessitore, A, Chu, A, Rotty, B, Venkaya, S, Mukhopadhyay, S, Borkowska, O, Chalk, R, Shrestha, L, Burgess-Brown, N.A, Edwards, A.M, Arrowsmith, C.H, Bountra, C, Han, S, Carpenter, E.P, Structural Genomics Consortium (SGC)
Deposit date:2019-06-25
Release date:2020-07-08
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Structure of human excitatory amino acid transporter 3 (EAAT3)
TO BE PUBLISHED
5WI9
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BU of 5wi9 by Molmil
Crystal structure of KL with an agonist Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 39F7 Fab heavy chain, ...
Authors:Johnstone, S, Min, X, Wang, Z.
Deposit date:2017-07-18
Release date:2018-07-25
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Agonistic beta-Klotho antibody mimics fibroblast growth factor 21 (FGF21) functions.
J. Biol. Chem., 293, 2018

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