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6XM2
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BU of 6xm2 by Molmil
The structure of the 4A11.v7 antibody in complex with human TGFb2
Descriptor: 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2
Authors:Lupardus, P.J, Yin, J.P.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
6XLZ
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BU of 6xlz by Molmil
Structure of NHP D11A.F2 Fab in complex with 16055 V2b peptide
Descriptor: (R,R)-2,3-BUTANEDIOL, Envelope glycoprotein gp160, NHP_D11A.F2_Fab_Heavy_chain, ...
Authors:Aljedani, S, Rodarte, J, Liban, T, Pancera, M.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6XSN
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BU of 6xsn by Molmil
Crystal structure of NHP VD20.5A4 Fab in complex with 16055 V1V2 1FD6 scaffold
Descriptor: 1,2-ETHANEDIOL, 16055_V1V2-1FD6, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Aljedani, S, Pancera, M.
Deposit date:2020-07-15
Release date:2021-07-21
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.87 Å)
Cite:Structurally related but genetically unrelated antibody lineages converge on an immunodominant HIV-1 Env neutralizing determinant following trimer immunization.
Plos Pathog., 17, 2021
6XP6
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BU of 6xp6 by Molmil
3C11-DQ2-glia-a2 complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3.C11 IgH Fab, ...
Authors:Petersen, J, Rossjohn, J.
Deposit date:2020-07-08
Release date:2021-07-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:A high-affinity human TCR-like antibody detects celiac disease gluten peptide-MHC complexes and inhibits T cell activation.
Sci Immunol, 6, 2021
6X8R
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BU of 6x8r by Molmil
Pharmacological characterisation and NMR structure of the novel mu-conotoxin SxIIIC, a potent irreversible NaV channel inhibitor
Descriptor: SxIIIC peptide
Authors:Schroeder, C.I, McMahon, K.L.
Deposit date:2020-06-01
Release date:2020-10-21
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Discovery, Pharmacological Characterisation and NMR Structure of the Novel μ-Conotoxin SxIIIC, a Potent and Irreversible Na V Channel Inhibitor.
Biomedicines, 8, 2020
5YDM
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BU of 5ydm by Molmil
The crystal structure of the Acyl Transferase domain of SpnD complex with benzylmalonyl
Descriptor: (2R)-2-methanoyl-3-phenyl-propanoic acid, PKS
Authors:Li, Y, Qu, X.D, Zhou, J.H.
Deposit date:2017-09-13
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis of a Broadly Selective Acyltransferase from the Polyketide Synthase of Splenocin.
Angew. Chem. Int. Ed. Engl., 57, 2018
4UWH
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BU of 4uwh by Molmil
Discovery of (2S)-8-((3R)-3-Methylmorpholin-4-yl)-1-(3-methyl-2-oxo- butyl)-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido(1,2-a)pyrimidin-6- one: a Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors
Descriptor: (8S)-9-[(2R)-2-hydroxy-2-phenylethyl]-2-(morpholin-4-yl)-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one, PHOSPHATIDYLINOSITOL 3-KINASE CATALYTIC SUBUNIT TYPE 3, SODIUM ION
Authors:Pasquier, B, El-Ahmad, Y, Filoche-Romme, B, Dureuil, C, Fassy, F, Abecassis, P.Y, Mathieu, M, Bertrand, T, Benard, T, Barriere, C, ElBatti, S, Letallec, J.P, Sonnefraud, V, Brollo, M, Delbarre, L, Loyau, V, Pilorge, F, Bertin, L, Richepin, P, Arigon, J, Labrosse, J.R, Clement, J, Durand, F, Combet, R, Perraut, P, Leroy, V, Gay, F, Lefrancois, D, Bretin, F, Marquette, J.P, Michot, N, Caron, A, Castell, C, Schio, L, McCort, G, Goulaouic, H, Garcia-Echeverria, C, Ronan, B.
Deposit date:2014-08-12
Release date:2014-11-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.93 Å)
Cite:Discovery of (2S)-8-[(3R)-3-Methylmorpholin-4-Yl]-1-(3-Methyl-2-Oxo-Butyl)-2-(Trifluoromethyl)-3,4-Dihydro-2H-Pyrimido[1,2-A]Pyrimidin-6-One: A Novel Potent and Selective Inhibitor of Vps34 for the Treatment of Solid Tumors.
J.Med.Chem., 58, 2015
5Y5S
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BU of 5y5s by Molmil
Structure of photosynthetic LH1-RC super-complex at 1.9 angstrom resolution
Descriptor: (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, BACTERIOCHLOROPHYLL A, ...
Authors:Yu, L.-J, Suga, M, Wang-Otomo, Z.-Y, Shen, J.-R.
Deposit date:2017-08-09
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of photosynthetic LH1-RC supercomplex at 1.9 angstrom resolution.
Nature, 556, 2018
6YHR
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BU of 6yhr by Molmil
Crystal structure of Werner syndrome helicase
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Werner syndrome ATP-dependent helicase, ZINC ION
Authors:Newman, J.A, Gavard, A.E, Savitsky, P, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
Deposit date:2020-03-30
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure of the helicase core of Werner helicase, a key target in microsatellite instability cancers.
Life Sci Alliance, 4, 2021
5YDL
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BU of 5ydl by Molmil
The crystal structure of the Acyl Transferase domain of SpnD complex with 2-(pent-4-yn-1-yl)malonyl
Descriptor: (2R)-2-methanoylhept-6-ynoic acid, PKS
Authors:Li, Y, Qu, X.D, Zhou, J.H.
Deposit date:2017-09-13
Release date:2018-05-23
Method:X-RAY DIFFRACTION (2.402 Å)
Cite:Structural Basis of a Broadly Selective Acyltransferase from the Polyketide Synthase of Splenocin.
Angew. Chem. Int. Ed. Engl., 57, 2018
5YDA
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BU of 5yda by Molmil
The crystal structure of the Acyl Transferase domain of SpnD
Descriptor: PKS
Authors:Li, Y, Qu, X.D, Zhou, J.H.
Deposit date:2017-09-12
Release date:2018-05-23
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.353 Å)
Cite:Structural Basis of a Broadly Selective Acyltransferase from the Polyketide Synthase of Splenocin.
Angew. Chem. Int. Ed. Engl., 57, 2018
6YKG
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BU of 6ykg by Molmil
Structure-based exploration of selectivity for ATM inhibitors in Huntingtons disease
Descriptor: 4-morpholin-4-yl-6-[(2~{R})-2-(phenylmethyl)pyrrolidin-1-yl]-1~{H}-pyridin-2-one, Phosphatidylinositol 3-kinase catalytic subunit type 3
Authors:Van de Poel, A, Leonard, P.M, Lamers, M.B.A.C.
Deposit date:2020-04-06
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.12 Å)
Cite:Structure-Based Exploration of Selectivity for ATM Inhibitors in Huntington's Disease.
J.Med.Chem., 64, 2021
5ZGH
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BU of 5zgh by Molmil
Cryo-EM structure of the red algal PSI-LHCR
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Pi, X.
Deposit date:2018-03-09
Release date:2018-04-11
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6ZK0
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BU of 6zk0 by Molmil
1.47A human IMPase with ebselen
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, Inositol monophosphatase 1, ...
Authors:Bax, B.D, Fenn, G.D.
Deposit date:2020-06-29
Release date:2020-09-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Crystallization and structure of ebselen bound to Cys141 of human inositol monophosphatase.
Acta Crystallogr.,Sect.F, 76, 2020
5WFR
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BU of 5wfr by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: GTPase HRas, MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
6XRJ
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BU of 6xrj by Molmil
Crystal structure of the disulfide linked DH717.1 Fab dimer, derived from a macaque HIV-1 vaccine-induced Env glycan-reactive neutralizing antibody B cell lineage
Descriptor: DH717.1 heavy chain Fab fragment, DH717.1 light chain Fab fragment
Authors:Manne, K, Nicely, N.I, Acharya, P.
Deposit date:2020-07-13
Release date:2020-12-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Fab-dimerized glycan-reactive antibodies are a structural category of natural antibodies.
Cell, 184, 2021
5ZGB
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BU of 5zgb by Molmil
Cryo-EM structure of the red algal PSI-LHCR
Descriptor: (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol, (2S)-2,3-dihydroxypropyl octadecanoate, 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE, ...
Authors:Pi, X.
Deposit date:2018-03-08
Release date:2018-04-25
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.63 Å)
Cite:Unique organization of photosystem I-light-harvesting supercomplex revealed by cryo-EM from a red alga
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
5ZE8
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BU of 5ze8 by Molmil
Crystal structure of a penta-heme cytochrome c552 from Thermochromatium tepidum
Descriptor: GLYCEROL, HEME C, SULFATE ION, ...
Authors:Yu, L.-J, Chen, J.-H, Shen, J.-R.
Deposit date:2018-02-27
Release date:2018-04-25
Last modified:2019-10-02
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Properties and structure of a low-potential, penta-heme cytochrome c552from a thermophilic purple sulfur photosynthetic bacterium Thermochromatium tepidum.
Photosyn. Res., 139, 2019
6ZCI
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BU of 6zci by Molmil
Crystal structure of BRD4-BD1 in complex with NVS-BET-1
Descriptor: (4~{R})-4-(4-chlorophenyl)-1-cyclopropyl-5-(1,5-dimethyl-6-oxidanylidene-pyridin-3-yl)-3-methyl-4~{H}-pyrrolo[3,4-c]pyrazol-6-one, Bromodomain-containing protein 4
Authors:Faller, M.
Deposit date:2020-06-11
Release date:2020-12-23
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.976 Å)
Cite:BET bromodomain inhibitors regulate keratinocyte plasticity.
Nat.Chem.Biol., 17, 2021
5X57
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BU of 5x57 by Molmil
Structure of GAR domain of ACF7
Descriptor: Microtubule-actin cross-linking factor 1, isoforms 1/2/3/5, NICKEL (II) ION
Authors:Yang, F, Wang, T, Zhang, Y, Wu, X.Y.
Deposit date:2017-02-15
Release date:2017-07-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:ACF7 regulates inflammatory colitis and intestinal wound response by orchestrating tight junction dynamics.
Nat Commun, 8, 2017
6YIO
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BU of 6yio by Molmil
CRYSTAL STRUCTURE OF FAB RG6292 IN COMPLEX WITH CD25 ECD
Descriptor: FAB FRAGMENT HEAVY CHAIN, FAB FRGAMENT LIGHT CHAIN, Interleukin-2 receptor subunit alpha
Authors:Benz, J, Koll, H, Leibrock, L.
Deposit date:2020-04-01
Release date:2020-11-11
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:CD25-T reg -depleting antibodies preserving IL-2 signaling on effector T cells enhance effector activation and antitumor immunity.
Nat Cancer, 1, 2020
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:2023-10-04
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
5WFP
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BU of 5wfp by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018
5WB2
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BU of 5wb2 by Molmil
US28 bound to engineered chemokine CX3CL1.35 and nanobodies
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHOLESTEROL, ...
Authors:Jude, K.M, Burg, J.S, Tsutsumi, N, Miles, T.F, Garcia, K.C.
Deposit date:2017-06-27
Release date:2018-06-13
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Viral GPCR US28 can signal in response to chemokine agonists of nearly unlimited structural degeneracy.
Elife, 7, 2018
5WFO
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BU of 5wfo by Molmil
Ligand-bound Ras:SOS:Ras complex
Descriptor: 6-chloranyl-~{N}-(4-fluorophenyl)-1,2,3,4-tetrahydroacridin-9-amine, GTPase HRas, MAGNESIUM ION, ...
Authors:Sun, Q, Phan, J, Burns, M.C, Fesik, S.W.
Deposit date:2017-07-12
Release date:2018-05-23
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:High-throughput screening identifies small molecules that bind to the RAS:SOS:RAS complex and perturb RAS signaling.
Anal. Biochem., 548, 2018

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