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5I8E
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BU of 5i8e by Molmil
Crystal Structure of Broadly Neutralizing HIV-1 Fusion Peptide-Targeting Antibody VRC34.01 Fab
Descriptor: VRC34.01 Fab heavy chain, VRC34.01 Fab light chain, ZINC ION
Authors:Xu, K, Zhou, T, Liu, K, Kwong, P.D.
Deposit date:2016-02-18
Release date:2016-05-25
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.655 Å)
Cite:Fusion peptide of HIV-1 as a site of vulnerability to neutralizing antibody.
Science, 352, 2016
5JEK
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BU of 5jek by Molmil
Phosphorylated MAVS in complex with IRF-3
Descriptor: Interferon regulatory factor 3, MAVS peptide
Authors:Zhao, B, Li, P.
Deposit date:2016-04-18
Release date:2016-06-15
Last modified:2016-06-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural basis for concerted recruitment and activation of IRF-3 by innate immune adaptor proteins.
Proc.Natl.Acad.Sci.USA, 113, 2016
6MCO
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BU of 6mco by Molmil
Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P23 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-08-31
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.526 Å)
Cite:Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019
6MDT
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BU of 6mdt by Molmil
Crystal structure of the B41 SOSIP.664 Env trimer with PGT124 and 35O22 Fabs, in P63 space group
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Fab heavy chain, ...
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-09-05
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.816 Å)
Cite:Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019
6ME1
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BU of 6me1 by Molmil
Crystal structure of the clade B isolate B41 mutant fusion peptide (residues 512-521) in complex with VRC34.01
Descriptor: Envelope glycoprotein gp160, VRC34.01 Fab heavy chain, VRC34.01 Fab light chain
Authors:Kumar, S, Sarkar, A, Wilson, I.A.
Deposit date:2018-09-05
Release date:2019-02-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Capturing the inherent structural dynamics of the HIV-1 envelope glycoprotein fusion peptide.
Nat Commun, 10, 2019
6MTO
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BU of 6mto by Molmil
Crystal structure of VRC42.01 Fab in complex with T117-F MPER scaffold
Descriptor: Antibody VRC42.01 Fab heavy chain, Antibody VRC42.01 Fab light chain, VRC42 epitope T117-F scaffold
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.634 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTR
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BU of 6mtr by Molmil
Crystal structure of VRC43.01 Fab
Descriptor: Antibody VRC43.01 Fab heavy chain, Antibody VRC43.01 Fab light chain
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTS
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BU of 6mts by Molmil
Crystal structure of VRC43.03 Fab
Descriptor: Antibody VRC43.03 Fab heavy chain, Antibody VRC43.03 Fab light chain
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.437 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTP
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BU of 6mtp by Molmil
Crystal structure of VRC42.04 Fab in complex with gp41 peptide
Descriptor: Antibody VRC42.04 Fab heavy chain, Antibody VRC42.04 Fab light chain, RV217 founder virus gp41 peptide
Authors:Kwon, Y.D, Druz, A, Law, W.H, Peng, D, Zhang, B, Doria-Rose, N.A, Kwong, P.D.
Deposit date:2018-10-21
Release date:2019-03-27
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.036 Å)
Cite:Longitudinal Analysis Reveals Early Development of Three MPER-Directed Neutralizing Antibody Lineages from an HIV-1-Infected Individual.
Immunity, 50, 2019
6MTY
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BU of 6mty by Molmil
Crystal structure of a human anti-ZIKV-DENV neutralizing antibody MZ4 isolated following ZPIV vaccination
Descriptor: MZ4 Heavy Chain, MZ4 Light Chain
Authors:Sankhala, R.S, Dussupt, V, Donofrio, G, Choe, M, Modjarrad, K, Michael, N.L, Krebs, S.J, Joyce, M.G.
Deposit date:2018-10-22
Release date:2019-12-25
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.951 Å)
Cite:Potent Zika and dengue cross-neutralizing antibodies induced by Zika vaccination in a dengue-experienced donor.
Nat Med, 26, 2020
6MU2
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BU of 6mu2 by Molmil
Structure of full-length IP3R1 channel in the Apo-state
Descriptor: Inositol 1,4,5-trisphosphate receptor type 1
Authors:Serysheva, I.I, Fan, G, Baker, M.R, Wang, Z, Seryshev, A, Ludtke, S.J, Baker, M.L.
Deposit date:2018-10-22
Release date:2018-12-05
Last modified:2019-11-27
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Cryo-EM reveals ligand induced allostery underlying InsP3R channel gating.
Cell Res., 28, 2018
6MT0
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BU of 6mt0 by Molmil
Crystal structure of human Pim-1 kinase in complex with a quinazolinone-pyrrolodihydropyrrolone inhibitor
Descriptor: 3-(1-methylcyclopropyl)-2-[(1-methylcyclopropyl)amino]-8-[(6R)-6-methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4-b]pyrrol-2-yl]quinazolin-4(3H)-one, GLYCEROL, Serine/threonine-protein kinase pim-1
Authors:Mohr, C.
Deposit date:2018-10-18
Release date:2019-01-16
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of ( R)-8-(6-Methyl-4-oxo-1,4,5,6-tetrahydropyrrolo[3,4- b]pyrrol-2-yl)-3-(1-methylcyclopropyl)-2-((1-methylcyclopropyl)amino)quinazolin-4(3 H)-one, a Potent and Selective Pim-1/2 Kinase Inhibitor for Hematological Malignancies.
J. Med. Chem., 62, 2019
2DSN
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BU of 2dsn by Molmil
Crystal structure of T1 lipase
Descriptor: CALCIUM ION, CHLORIDE ION, SODIUM ION, ...
Authors:Matsumura, H, Kai, Y.
Deposit date:2006-07-03
Release date:2007-07-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Novel cation-pi interaction revealed by crystal structure of thermoalkalophilic lipase
Proteins, 70, 2007
5OEW
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BU of 5oew by Molmil
Crystal structure of the GluA2 ligand-binding domain (S1S2J) in complex with glutamate and positive allosteric modulator BPAM538
Descriptor: 4-cyclopropyl-7-(3-methoxyphenoxy)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide, ACETATE ION, GLUTAMIC ACID, ...
Authors:Larsen, A.P, Frydenvang, K.A, Kastrup, J.S.
Deposit date:2017-07-10
Release date:2018-01-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:7-Phenoxy-Substituted 3,4-Dihydro-2H-1,2,4-benzothiadiazine 1,1-Dioxides as Positive Allosteric Modulators of alpha-Amino-3-hydroxy-5-methyl-4-isoxazolepropionic Acid (AMPA) Receptors with Nanomolar Potency.
J. Med. Chem., 61, 2018
7PBC
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BU of 7pbc by Molmil
Crystal structure of engineered TCR (796) complexed to HLA-A*02:01 presenting MAGE-A10 9-mer peptide
Descriptor: Beta-2-microglobulin, CHLORIDE ION, GLYCEROL, ...
Authors:Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
Deposit date:2021-08-02
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
8LPR
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BU of 8lpr by Molmil
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS
Descriptor: ALPHA-LYTIC PROTEASE, METHOXYSUCCINYL-ALA-ALA-PRO-PHENYLALANINE BORONIC ACID INHIBITOR, SULFATE ION
Authors:Fujishige, A, Bone, R, Agard, D.A.
Deposit date:1991-08-05
Release date:1993-01-15
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural basis for broad specificity in alpha-lytic protease mutants.
Biochemistry, 30, 1991
7PDX
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BU of 7pdx by Molmil
Crystal structure of parent MAGE-A10 TCR (728)
Descriptor: CHLORIDE ION, PHOSPHATE ION, T-cell receptor alpha chain (TRAV/TRAC), ...
Authors:Simister, P.C, Border, E.C, Vieira, J.F, Pumphrey, N.J.
Deposit date:2021-08-09
Release date:2022-08-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Structural insights into engineering a T-cell receptor targeting MAGE-A10 with higher affinity and specificity for cancer immunotherapy.
J Immunother Cancer, 10, 2022
2MUS
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BU of 2mus by Molmil
HADDOCK calculated model of LIN5001 bound to the HET-s amyloid
Descriptor: 3''',4'-bis(carboxymethyl)-2,2':5',2'':5'',2''':5''',2''''-quinquethiophene-5,5''''-dicarboxylic acid, Heterokaryon incompatibility protein s
Authors:Hermann, U.S, Schuetz, A.K, Shirani, H, Saban, D, Nuvolone, M, Huang, D.H, Li, B, Ballmer, B, Aslund, A.K.O, Mason, J.J, Rushing, E, Budka, H, Hammarstrom, P, Bockmann, A, Caflisch, A, Meier, B.H, Nilsson, P.K.R, Hornemann, S, Aguzzi, A.
Deposit date:2014-09-16
Release date:2017-02-01
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Structure-based drug design identifies polythiophenes as antiprion compounds.
Sci Transl Med, 7, 2015
2EWP
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BU of 2ewp by Molmil
Crystal structure of Estrogen Related Receptor-3 (ERR-gamma) ligand binding domaind with tamoxifen analog GSK5182
Descriptor: (Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL, Estrogen-related receptor gamma
Authors:Nolte, R.T.
Deposit date:2005-11-04
Release date:2006-05-09
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure-guided synthesis of tamoxifen analogs with improved selectivity for the orphan ERRgamma.
Bioorg.Med.Chem.Lett., 16, 2006
2HAW
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BU of 2haw by Molmil
Crystal structure of family II Inorganic pyrophosphatase in complex with PNP
Descriptor: CHLORIDE ION, FLUORIDE ION, GLYCEROL, ...
Authors:Fabrichniy, I.P, Lehtio, L, Oksanen, E, Goldman, A.
Deposit date:2006-06-13
Release date:2006-11-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A trimetal site and substrate distortion in a family II inorganic pyrophosphatase
J.Biol.Chem., 282, 2007
2GU8
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BU of 2gu8 by Molmil
Discovery of 2-Pyrimidyl-5-Amidothiophenes as Novel and Potent Inhibitors for AKT: Synthesis and SAR Studies
Descriptor: CAMP-dependent protein kinase, alpha-catalytic subunit, N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE, ...
Authors:Murray, J.M.
Deposit date:2006-04-28
Release date:2007-05-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of 2-pyrimidyl-5-amidothiophenes as potent inhibitors for AKT: synthesis and SAR studies
Bioorg.Med.Chem.Lett., 16, 2006
2HAU
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BU of 2hau by Molmil
Apo-Human Serum Transferrin (Non-Glycosylated)
Descriptor: CITRIC ACID, GLYCEROL, Serotransferrin
Authors:Wally, J, Everse, S.J.
Deposit date:2006-06-13
Release date:2006-06-27
Last modified:2021-10-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of Iron-free Human Serum Transferrin Provides Insight into Inter-lobe Communication and Receptor Binding.
J.Biol.Chem., 281, 2006
2HAV
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BU of 2hav by Molmil
Apo-Human Serum Transferrin (Glycosylated)
Descriptor: CITRIC ACID, GLYCEROL, Serotransferrin
Authors:Wally, J, Everse, S.J.
Deposit date:2006-06-13
Release date:2006-06-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of Iron-free Human Serum Transferrin Provides Insight into Inter-lobe Communication and Receptor Binding.
J.Biol.Chem., 281, 2006
2IBJ
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BU of 2ibj by Molmil
Structure of House Fly Cytochrome B5
Descriptor: Cytochrome b5, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Terzyan, S, Zhang, X.C, Benson, D.R, Wang, L.
Deposit date:2006-09-11
Release date:2007-02-27
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Comparison of cytochromes b(5) from insects and vertebrates.
Proteins, 67, 2007
2W1W
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BU of 2w1w by Molmil
Native structure of a family 35 carbohydrate binding module from Clostridium thermocellum
Descriptor: CALCIUM ION, GLYCEROL, LIPOLYTIC ENZYME, ...
Authors:Gloster, T.M, Davies, G.J, Correia, M, Prates, J, Fontes, C, Gilbert, H.J.
Deposit date:2008-10-21
Release date:2009-01-20
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009

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