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2I4X
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BU of 2i4x by Molmil
HIV-1 Protease I84V, L90M with GS-8374
Descriptor: DIETHYL ({4-[(2S,3R)-2-({[(3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YLOXY]CARBONYL}AMINO)-3-HYDROXY-4-{ISOBUTYL[(4-METHOXYPHENYL)SULFONYL]AMINO}BUTYL]PHENOXY}METHYL)PHOSPHONATE, Protease
Authors:Hatada, M.
Deposit date:2006-08-22
Release date:2007-08-28
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Suppression of HIV-1 Protease Inhibitor Resistance by Phosphonate-mediated Solvent Anchoring.
J.Mol.Biol., 363, 2006
5E5W
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BU of 5e5w by Molmil
Hemagglutinin-esterase-fusion mutant structure of influenza D virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
Authors:Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2015-10-09
Release date:2016-03-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
8INZ
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BU of 8inz by Molmil
Cryo-EM structure of human HCN3 channel in apo state
Descriptor: 4-[[(2~{S},4~{a}~{R},6~{S},8~{a}~{S})-6-[(4~{S},5~{R})-4-[(2~{S})-butan-2-yl]-5,9-dimethyl-decyl]-4~{a}-methyl-2,3,4,5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-2-yl]oxy]-4-oxidanylidene-butanoic acid, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
Authors:Yu, B, Lu, Q.Y, Li, J, Zhang, J.
Deposit date:2023-03-10
Release date:2024-04-10
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (2.72 Å)
Cite:Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
5DRZ
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BU of 5drz by Molmil
Crystal structure of anti-HIV-1 antibody F240 Fab in complex with gp41 peptide
Descriptor: Envelope glycoprotein gp160, HIV Antibody F240 Heavy Chain, HIV Antibody F240 Light Chain, ...
Authors:Gohain, N, Tolbert, W.D, Pazgier, M.
Deposit date:2015-09-16
Release date:2016-10-19
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular basis for epitope recognition by non-neutralizing anti-gp41 antibody F240.
Sci Rep, 6, 2016
5E65
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BU of 5e65 by Molmil
The complex structure of Hemagglutinin-esterase-fusion mutant protein from the influenza D virus with receptor analog 9-O-Ac-3'SLN (Tr322)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid-(2-3)-beta-D-galactopyranose, ...
Authors:Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2015-10-09
Release date:2016-03-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
5E64
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BU of 5e64 by Molmil
Hemagglutinin-esterase-fusion protein structure of influenza D virus
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CACODYLATE ION, ...
Authors:Song, H, Qi, J, Shi, Y, Gao, G.F.
Deposit date:2015-10-09
Release date:2016-03-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:An Open Receptor-Binding Cavity of Hemagglutinin-Esterase-Fusion Glycoprotein from Newly-Identified Influenza D Virus: Basis for Its Broad Cell Tropism
PLoS Pathog., 12, 2016
6M6I
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BU of 6m6i by Molmil
Structure of HSV2 B-capsid portal vertex
Descriptor: Coiled coils chain 1, Coiled coils chain 2, Major capsid protein, ...
Authors:Wang, X.X, Wang, N.
Deposit date:2020-03-14
Release date:2021-03-10
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (4.05 Å)
Cite:Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
8IO0
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BU of 8io0 by Molmil
Cryo-EM structure of human HCN3 channel with cAMP
Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3
Authors:Yu, B, Lu, Q.Y, Li, J, Zhang, J.
Deposit date:2023-03-10
Release date:2024-11-13
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Cryo-EM structure of human HCN3 channel and its regulation by cAMP.
J.Biol.Chem., 300, 2024
6M6H
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BU of 6m6h by Molmil
Structure of HSV2 C-capsid portal vertex
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large tegument protein deneddylase, ...
Authors:Wang, X.X, Wang, N.
Deposit date:2020-03-14
Release date:2021-03-24
Last modified:2024-10-30
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
6M6G
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BU of 6m6g by Molmil
Structure of HSV2 viron capsid portal vertex
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Coiled coils, ...
Authors:Wang, X.X, Wang, N.
Deposit date:2020-03-14
Release date:2021-03-24
Last modified:2024-11-20
Method:ELECTRON MICROSCOPY (5.39 Å)
Cite:Structures of the portal vertex reveal essential protein-protein interactions for Herpesvirus assembly and maturation.
Protein Cell, 11, 2020
5EQ3
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BU of 5eq3 by Molmil
Crystal structure of the SrpA adhesin from Streptococcus sanguinis with a sialyl galactose disaccharide bound
Descriptor: ACETATE ION, CALCIUM ION, N-glycolyl-alpha-neuraminic acid-(2-3)-methyl beta-D-galactopyranoside, ...
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
8GVJ
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BU of 8gvj by Molmil
Crystal structure of cMET kinase domain bound by D6808
Descriptor: (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione, Hepatocyte growth factor receptor
Authors:Chen, Y.H, Qu, L.Z.
Deposit date:2022-09-15
Release date:2022-11-23
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Discovery of D6808, a Highly Selective and Potent Macrocyclic c-Met Inhibitor for Gastric Cancer Harboring MET Gene Alteration Treatment.
J.Med.Chem., 65, 2022
7MF1
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BU of 7mf1 by Molmil
Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody 47D1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, 47D1 Fab heavy chain, ...
Authors:Yuan, M, Zhu, X, Wilson, I.A.
Deposit date:2021-04-08
Release date:2021-05-12
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.092 Å)
Cite:Diverse immunoglobulin gene usage and convergent epitope targeting in neutralizing antibody responses to SARS-CoV-2.
Cell Rep, 35, 2021
8EPT
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BU of 8ept by Molmil
UBE3A isoform 2 AZUL domain
Descriptor: Ubiquitin-protein ligase E3A, ZINC ION
Authors:Bregnard, T.A, Bezsonova, I.
Deposit date:2022-10-06
Release date:2023-07-05
Last modified:2025-02-05
Method:SOLUTION NMR
Cite:Differences in structure, dynamics, and zinc coordination between isoforms of human ubiquitin ligase UBE3A.
J.Biol.Chem., 301, 2024
5EWI
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BU of 5ewi by Molmil
Crystal Structure of the Human Fab VRC38.01, an HIV-1 V1V2-Directed Neutralizing Antibody Isolated from Donor N90
Descriptor: VRC38.01 Heavy Chain, VRC38.01 Light Chain
Authors:Gorman, J, Kwong, P.D.
Deposit date:2015-11-20
Release date:2016-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.5996 Å)
Cite:Virus-like Particles Identify an HIV V1V2 Apex-Binding Neutralizing Antibody that Lacks a Protruding Loop.
Immunity, 46, 2017
8ENP
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BU of 8enp by Molmil
UBE3A isoform 3 AZUL
Descriptor: Isoform III of Ubiquitin-protein ligase E3A, ZINC ION
Authors:Bregnard, T.A, Bezsonova, I.
Deposit date:2022-09-30
Release date:2023-10-18
Last modified:2025-02-05
Method:SOLUTION NMR
Cite:Differences in structure, dynamics, and zinc coordination between isoforms of human ubiquitin ligase UBE3A.
J.Biol.Chem., 301, 2024
2IIQ
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BU of 2iiq by Molmil
Crystal structure of Pasteurella multocida sialyltransferase in an open conformation with CMP bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE
Authors:Ni, L, Fisher, A.J.
Deposit date:2006-09-28
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural analysis of multifunctional sialyltransferase from Pasteurella multocida.
To be Published
2ILV
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BU of 2ilv by Molmil
crystal structure of multifunctional sialyltransferase from Pasteurella multocida with CMP and alpha-lactose bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-10-03
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007
2IHZ
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BU of 2ihz by Molmil
Crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F-Neu5Ac and alpha-lactose bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-27
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007
2II6
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BU of 2ii6 by Molmil
Crystal structure of Pasteurella multocida sialyltransferase D141N mutant in open conformation with CMP bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-27
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural analysis of multifunctional sialyltransferase from Pasteurella multocida.
To be Published
5EQ4
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BU of 5eq4 by Molmil
Crystal structure of the SrpA adhesin R347E mutant from Streptococcus sanguinis
Descriptor: ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016
2IHJ
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BU of 2ihj by Molmil
crystal structure of multifunctional sialyltransferase from pasteurella multocida with CMP-3F-Neu5Ac bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID
Authors:Fisher, A.J, Ni, L.
Deposit date:2006-09-26
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Pasteurella multocida Sialyltransferase Complexes with Acceptor and Donor Analogues Reveal Substrate Binding Sites and Catalytic Mechanism.
Biochemistry, 46, 2007
2IIB
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BU of 2iib by Molmil
Crystal structure of Pasteurella multocida sialyltransferase D141N mutant with CMP bound
Descriptor: Alpha-2,3/2,6-sialyltransferase/sialidase, CYTIDINE-5'-MONOPHOSPHATE
Authors:Ni, L, Fisher, A.J.
Deposit date:2006-09-27
Release date:2007-08-14
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural analysis of multifunctional sialyltransferase from Pasteurella multocida.
To be Published
2G0H
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BU of 2g0h by Molmil
Structure-based drug design of a novel family of PPAR partial agonists: virtual screening, x-ray crystallography and in vitro/in vivo biological activities
Descriptor: N-[1-(4-FLUOROPHENYL)-3-(2-THIENYL)-1H-PYRAZOL-5-YL]-3,5-BIS(TRIFLUOROMETHYL)BENZENESULFONAMIDE, Peroxisome proliferator-activated receptor gamma
Authors:Lu, I.L, Peng, Y.H, Huang, C.F, Lin, Y.T, Hsu, J.T.A, Wu, S.Y.
Deposit date:2006-02-13
Release date:2006-05-16
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-Based Drug Design of a Novel Family of PPARgamma Partial Agonists: Virtual Screening, X-ray Crystallography, and in Vitro/in Vivo Biological Activities
J.Med.Chem., 49, 2006
5EQ2
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BU of 5eq2 by Molmil
Crystal Structure of the SrpA Adhesin from Streptococcus sanguinis
Descriptor: ACETATE ION, CALCIUM ION, Platelet-binding glycoprotein
Authors:Loukachevitch, L.V, McCulloch, K.M, Vann, K.R, Wawrzak, Z, Anderson, S, Iverson, T.M.
Deposit date:2015-11-12
Release date:2016-01-27
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural Basis for Sialoglycan Binding by the Streptococcus sanguinis SrpA Adhesin.
J.Biol.Chem., 291, 2016

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