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4IME
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BU of 4ime by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164A Mutant
Descriptor: 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, N-acetylneuraminate lyase
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
8WA3
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BU of 8wa3 by Molmil
Cryo-EM structure of peptide free and Gs-coupled GIPR
Descriptor: Gastric inhibitory polypeptide receptor,Fusion protein, 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,O-antigen polymerase, ...
Authors:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-06
Release date:2024-03-06
Last modified:2025-04-23
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WG8
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BU of 8wg8 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GCGR
Descriptor: Glucagon 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:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-20
Release date:2024-03-06
Last modified:2025-04-23
Method:ELECTRON MICROSCOPY (2.71 Å)
Cite:Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
8WG7
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BU of 8wg7 by Molmil
Cryo-EM structures of peptide free and Gs-coupled GLP-1R
Descriptor: Glucagon-like peptide 1 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:Cong, Z.T, Zhao, F.H, Li, Y, Luo, G, Zhou, Q.T, Yang, D.H, Wang, M.W.
Deposit date:2023-09-20
Release date:2024-03-06
Last modified:2025-07-16
Method:ELECTRON MICROSCOPY (2.54 Å)
Cite:Molecular features of the ligand-free GLP-1R, GCGR and GIPR in complex with G s proteins.
Cell Discov, 10, 2024
5VSF
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BU of 5vsf by Molmil
Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17
Descriptor: 1,4-DIETHYLENE DIOXIDE, GLYCEROL, Histone-lysine N-methyltransferase EHMT1, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5WHZ
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BU of 5whz by Molmil
PGDM1400-10E8v4 CODV Fab
Descriptor: Anti-HIV CODV-Fab Heavy chain, Anti-HIV CODV-Fab Light chain
Authors:Lord, D.M, Wei, R.R.
Deposit date:2017-07-18
Release date:2017-10-11
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.549 Å)
Cite:Trispecific broadly neutralizing HIV antibodies mediate potent SHIV protection in macaques.
Science, 358, 2017
8WCW
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BU of 8wcw by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the IFapo state
Descriptor: ABC transporter transmembrane region, Transmembrane ATP-binding protein ABC transporter
Authors:Yu, J, Li, J.
Deposit date:2023-09-14
Release date:2025-03-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
8WCX
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BU of 8wcx by Molmil
Cryo-EM structure of MsRv1273c/72c from Mycobacterium smegmatis in the AMPPNP-bound IFasym-1 state
Descriptor: ABC transporter transmembrane region, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ...
Authors:Yu, J, Li, J.
Deposit date:2023-09-14
Release date:2025-03-26
Last modified:2025-05-14
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structure and mechanism of a mycobacterial isoniazid efflux pump MsRv1273c/72c with a degenerate nucleotide-binding site.
Nat Commun, 16, 2025
5WDF
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BU of 5wdf by Molmil
Crystal structure of 10E8v4-5R+100cF Fab in complex with HIV-1 gp41 peptide
Descriptor: 10E8v4-5R+100cF Fab heavy chain, FA10E8v4-5R+100cF FAB light chain, HIV-1 gp41 peptide
Authors:Kwon, Y.D, Kwong, P.D.
Deposit date:2017-07-05
Release date:2018-03-21
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Surface-Matrix Screening Identifies Semi-specific Interactions that Improve Potency of a Near Pan-reactive HIV-1-Neutralizing Antibody.
Cell Rep, 22, 2018
5VSE
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BU of 5vse by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Descriptor: Histone-lysine N-methyltransferase EHMT2, N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5XMC
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BU of 5xmc by Molmil
Crystal structure of the auto-inhibited Nedd4 family E3 ligase Itch
Descriptor: E3 ubiquitin-protein ligase Itchy
Authors:Shan, Z, Wen, W.
Deposit date:2017-05-13
Release date:2017-08-02
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Allosteric auto-inhibition and activation of the Nedd4 family E3 ligase Itch
EMBO Rep., 18, 2017
4IMD
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BU of 4imd by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase trapped with pyruvate covalently bound through a Schiff base to Lys164
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2025-03-26
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IMC
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BU of 4imc by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase
Descriptor: 1,2-ETHANEDIOL, N-acetylneuraminate lyase, PHOSPHATE ION
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IKS
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BU of 4iks by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with N1-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)-N2-(6-(trifluoromethyl)pyridin-2-yl)ethane-1,2-diamine
Descriptor: COBALT (II) ION, GLYCEROL, Methionine aminopeptidase 1, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
5VSC
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BU of 5vsc by Molmil
Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 13
Descriptor: 6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)-N~2~-propylquinazoline-2,4-diamine, Histone-lysine N-methyltransferase EHMT2, S-ADENOSYLMETHIONINE, ...
Authors:Babault, N, Xiong, Y, Liu, J, Jin, J.
Deposit date:2017-05-11
Release date:2017-07-12
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.
Bioorg. Med. Chem., 25, 2017
5VGJ
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BU of 5vgj by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90, bound to a scaffolded WITO V1V2 domain
Descriptor: 1FD6-V1V2-WITO, 2-acetamido-2-deoxy-beta-D-glucopyranose, VRC38.01 Fab Heavy Chain, ...
Authors:Gorman, J, Li, J, Kwong, P.D.
Deposit date:2017-04-11
Release date:2017-05-31
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (3.456 Å)
Cite:Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
4IMF
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BU of 4imf by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Acetylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 5-(acetylamino)-3,5-dideoxy-D-glycero-D-galacto-non-2-ulosonic acid, CHLORIDE ION, ...
Authors:Fisher, A.J, Huynh, N.
Deposit date:2013-01-02
Release date:2013-11-06
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
4IKR
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BU of 4ikr by Molmil
Crystal structure of Type 1 human methionine aminopeptidase in complex with 2-(4-(5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)piperazin-1-yl)ethanol
Descriptor: 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol, COBALT (II) ION, GLYCEROL, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IKU
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BU of 4iku by Molmil
Crystal structure of truncated (delta 1-89) human methionine aminopeptidase Type 1 in complex with 2-((5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl)amino)-3-phenylpropanamide
Descriptor: COBALT (II) ION, Methionine aminopeptidase 1, Nalpha-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]-D-phenylalaninamide, ...
Authors:Addlagatta, A, Kishor, C, Arya, T.
Deposit date:2012-12-28
Release date:2013-12-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4L53
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BU of 4l53 by Molmil
Crystal Structure of (1R,4R)-4-{4-[7-amino-2-(1,2,3-benzothiadiazol-7-yl)-3-chlorofuro[2,3-c]pyridin-4-yl]-1H-pyrazol-1-yl}cyclohexan-1-ol bound to TAK1-TAB1
Descriptor: 1,2-ETHANEDIOL, Mitogen-activated protein kinase kinase kinase 7, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 chimera, ...
Authors:Wang, J, Hornberger, K.R, Crew, A.P, Jestel, A, Maskos, K, Moertl, M.
Deposit date:2013-06-10
Release date:2013-07-03
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Discovery of 7-aminofuro[2,3-c]pyridine inhibitors of TAK1: Optimization of kinase selectivity and pharmacokinetics.
Bioorg.Med.Chem.Lett., 23, 2013
1GTN
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BU of 1gtn by Molmil
Structure of the trp RNA-binding attenuation protein (TRAP) bound to an RNA molecule containing 11 GAGCC repeats
Descriptor: (GAGCC)11G 56-NUCLEOTIDE RNA, TRP RNA-BINDING ATTENUATION PROTEIN, TRYPTOPHAN
Authors:Hopcroft, N.H, Wendt, A.L, Gollnick, P, Antson, A.A.
Deposit date:2002-01-16
Release date:2002-04-05
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Specificity of Trap-RNA Interactions: Crystal Structures of Two Complexes with Different RNA Sequences
Acta Crystallogr.,Sect.D, 58, 2002
1HFD
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BU of 1hfd by Molmil
HUMAN COMPLEMENT FACTOR D IN A P21 CRYSTAL FORM
Descriptor: COMPLEMENT FACTOR D
Authors:Jing, H, Babu, Y.S, Moore, D, Kilpatrick, J.M, Liu, X.-Y, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-06-18
Release date:1999-06-22
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structures of native and complexed complement factor D: implications of the atypical His57 conformation and self-inhibitory loop in the regulation of specific serine protease activity.
J.Mol.Biol., 282, 1998
1FDP
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BU of 1fdp by Molmil
PROENZYME OF HUMAN COMPLEMENT FACTOR D, RECOMBINANT PROFACTOR D
Descriptor: PROENZYME OF COMPLEMENT FACTOR D
Authors:Jing, H, Macon, K.J, Moore, D, Delucas, L.J, Volanakis, J.E, Narayana, S.V.L.
Deposit date:1998-12-03
Release date:1999-12-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural basis of profactor D activation: from a highly flexible zymogen to a novel self-inhibited serine protease, complement factor D.
Embo J., 18, 1999
6O1F
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BU of 6o1f by Molmil
Complex between soybean trypsin inhibitor beta1-tryptase and a humanized fab
Descriptor: 1,2-ETHANEDIOL, Heavy Chain hu31A.v11, Light Chain hu31A.v11, ...
Authors:Ultsch, M.H, Yi, T.
Deposit date:2019-02-19
Release date:2019-10-16
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:An Allosteric Anti-tryptase Antibody for the Treatment of Mast Cell-Mediated Severe Asthma.
Cell, 179, 2019
8XZ7
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BU of 8xz7 by Molmil
FGFR1 kinase domain with a covalent inhibitor 10h
Descriptor: 5-azanyl-3-[2-[4,6-bis(fluoranyl)-2-methyl-3~{H}-benzimidazol-5-yl]ethynyl]-1-[[3-(prop-2-enoylamino)phenyl]methyl]pyrazole-4-carboxamide, Fibroblast growth factor receptor 1, SULFATE ION
Authors:Chen, X.J, Chen, Y.H.
Deposit date:2024-01-20
Release date:2024-06-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Design, synthesis and biological evaluation of 5-amino-1H-pyrazole-4-carboxamide derivatives as pan-FGFR covalent inhibitors.
Eur.J.Med.Chem., 275, 2024

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