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6UMT
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BU of 6umt by Molmil
High-affinity human PD-1 PD-L2 complex
Descriptor: MAGNESIUM ION, Programmed cell death 1 ligand 2, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.986 Å)
Cite:A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
6ULA
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BU of 6ula by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00012
Descriptor: 2-cyclopropyl-N-{5-[4-({5-[(cyclopropylacetyl)amino]-1,3,4-thiadiazol-2-yl}oxy)piperidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-07
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00030
To Be Published
6UJM
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BU of 6ujm by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00013
Descriptor: Glutaminase kidney isoform, mitochondrial, N-{5-[(3R)-3-{[5-(acetylamino)-1,3,4-thiadiazol-2-yl]amino}pyrrolidin-1-yl]-1,3,4-thiadiazol-2-yl}acetamide
Authors:Huang, Q, Cerione, R.A.
Deposit date:2019-10-03
Release date:2020-10-07
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00013
To Be Published
6UMU
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BU of 6umu by Molmil
Human apo PD-1 triple mutant
Descriptor: CHLORIDE ION, Programmed cell death protein 1
Authors:Tang, S, Kim, P.S.
Deposit date:2019-10-10
Release date:2019-11-27
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.183 Å)
Cite:A high-affinity human PD-1/PD-L2 complex informs avenues for small-molecule immune checkpoint drug discovery.
Proc.Natl.Acad.Sci.USA, 116, 2019
8VQM
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BU of 8vqm by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R prime
Descriptor: (S~1~S,3R)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
6UGW
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BU of 6ugw by Molmil
Crystal structure of the Fc fragment of PF06438179/GP1111 an infliximab biosimilar in a C-centered orthorhombic crystal form, Lot A
Descriptor: ACETATE ION, PF-06438179/GP1111 Fc, ZINC ION, ...
Authors:Mayclin, S.J, Edwards, T.E.
Deposit date:2019-09-26
Release date:2019-11-13
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of PF-06438179/GP1111, an Infliximab Biosimilar.
BioDrugs, 34, 2020
8VQN
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BU of 8vqn by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6R
Descriptor: (S~1~S,3R)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin HA1 chain, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8VQL
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BU of 8vql by Molmil
Crystal structure of the A/Puerto Rico/8/1934 (H1N1) influenza virus hemagglutinin in complex with small molecule 6S prime
Descriptor: (S~1~S,3S)-N-{3,5-dichloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-3-(dimethylamino)pyrrolidine-1-sulfonimidoyl fluoride, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Lin, T.H, Zhu, Y, Wilson, I.A.
Deposit date:2024-01-18
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Ultrapotent influenza hemagglutinin fusion inhibitors developed through SuFEx-enabled high-throughput medicinal chemistry.
Proc.Natl.Acad.Sci.USA, 121, 2024
8V5A
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BU of 8v5a by Molmil
Prefusion-stabilized Respirovirus type 3 Fusion protein
Descriptor: Camelid nanobody 4C06, Fusion glycoprotein F0
Authors:Johnson, N.V, McLellan, J.S.
Deposit date:2023-11-30
Release date:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Universal paramyxovirus vaccine design by stabilizing regions involved in structural transformation of the fusion protein.
Nat Commun, 15, 2024
6UJB
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BU of 6ujb by Molmil
Integrin alpha-v beta-8 in complex with the Fabs C6D4 and 11D12v2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, C6D4 heavy chain Fab, ...
Authors:Campbell, M.G, Cormier, A, Cheng, Y, Nishimura, S.L.
Deposit date:2019-10-02
Release date:2020-02-05
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3.51 Å)
Cite:Cryo-EM Reveals Integrin-Mediated TGF-beta Activation without Release from Latent TGF-beta.
Cell, 180, 2020
6UL9
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BU of 6ul9 by Molmil
Crystal structure of human GAC in complex with inhibitor UPGL00023
Descriptor: 2-phenyl-N-{5-[(1-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}azetidin-3-yl)oxy]-1,3,4-thiadiazol-2-yl}acetamide, Glutaminase kidney isoform, mitochondrial
Authors:Huang, Q.Q, Cerione, R.A.
Deposit date:2019-10-07
Release date:2020-10-14
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of human GAC in complex with inhibitor UPGL00012
To Be Published
8TV3
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BU of 8tv3 by Molmil
Fab 221-5 in complex with OspA
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, Heavy chain of human monoclonal Fab 221-5, ...
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2023-08-17
Release date:2024-08-28
Method:X-RAY DIFFRACTION (2.312 Å)
Cite:Fab 221-5 in complex with OspA
To Be Published
8TVD
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BU of 8tvd by Molmil
Fab 221-11 in complex with OspA
Descriptor: CHLORIDE ION, Heavy chain of Fab 221-11, Light chain of Fab 221-11, ...
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2023-08-18
Release date:2024-08-28
Method:X-RAY DIFFRACTION (3.077 Å)
Cite:Fab 221-11 in complex with OspA
To Be Published
8TVJ
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BU of 8tvj by Molmil
Fab 227-1 in complex with OspA
Descriptor: Heavy chain of Fab 227-1, Light chain of Fab 227-1, Outer surface protein A
Authors:Rudolph, M.J, Mantis, N.
Deposit date:2023-08-18
Release date:2024-08-28
Method:X-RAY DIFFRACTION (3.168 Å)
Cite:Fab 227-1 in complex with OspA
To Be Published
8VVM
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BU of 8vvm by Molmil
Structure of FabS1CE1-EPR1-1 in complex with the erythropoietin receptor
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
Deposit date:2024-01-31
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8VKE
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BU of 8vke by Molmil
SARS-CoV-2 spike omicron (BA.1) RBD ectodomain dimer-of-trimers in complex with SC27 Fabs
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SC27 Fab heavy chain, SC27 Fab light chain, ...
Authors:Byrne, P.O, McLellan, J.S.
Deposit date:2024-01-09
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SARS-CoV-2 spike omicron (BA.1) RBD ectodomain dimer-of-trimers in complex with SC27 Fabs
To Be Published
8VIF
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BU of 8vif by Molmil
SARS-CoV-2 spike omicron (BA.1) ectodomain trimer in complex with SC27 Fab, local refinement
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, SC27 Fab heavy chain, SC27 Fab light chain, ...
Authors:Byrne, P.O, McLellan, J.S.
Deposit date:2024-01-04
Release date:2024-07-24
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:SARS-CoV-2 spike omicron (BA.1) ectodomain trimer in complex with SC27 Fab, global refinement
To Be Published
8VVO
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BU of 8vvo by Molmil
Structure of FabS1CE2-EPR1-1 in complex with the erythropoietin receptor
Descriptor: CHLORIDE ION, Erythropoietin receptor, S1CE2 VARIANT OF FAB-EPR-1 heavy chain, ...
Authors:Singer, A.U, Bruce, H.A, Pavlenco, A, Ploder, L, Luu, G, Blazer, L, Adams, J.J, Sidhu, S.S.
Deposit date:2024-01-31
Release date:2024-07-10
Method:X-RAY DIFFRACTION (3.09 Å)
Cite:Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
8VUI
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BU of 8vui by Molmil
Structure of FabS1CE-EPR-1, an elbow-locked Fab, in complex with the erythropoeitin receptor
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, AMMONIUM ION, ...
Authors:Singer, A.U, Bruce, H.A, Blazer, L, Adams, J.J, Sidhu, S.S.
Deposit date:2024-01-29
Release date:2024-07-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Antigen-binding fragments with improved crystal lattice packing and enhanced conformational flexibility at the elbow region as crystallization chaperones.
Protein Sci., 33, 2024
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
Descriptor: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
Descriptor: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
Descriptor: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZT
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BU of 7rzt by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with S940F mutation
Descriptor: SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZV
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BU of 7rzv by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with V1176F mutation
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022

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数据于2024-09-04公开中

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