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8JEL
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BU of 8jel by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form I
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEQ
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BU of 8jeq by Molmil
Crystal structure of Tiragolumab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEP
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BU of 8jep by Molmil
Crystal structure of Ociperlimab
Descriptor: antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEO
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BU of 8jeo by Molmil
Crystal structure of TIGIT in complexed with Tiragolumab
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
8JEN
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BU of 8jen by Molmil
Crystal structure of TIGIT in complexed with Ociperlimab, crystal form II
Descriptor: T-cell immunoreceptor with Ig and ITIM domains, antibody heavy chain, antibody light chain
Authors:Sun, J, Zhang, X.X, Song, J.
Deposit date:2023-05-16
Release date:2024-02-28
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.71 Å)
Cite:Structural insights into the unique pH-responsive characteristics of the anti-TIGIT therapeutic antibody Ociperlimab.
Structure, 32, 2024
7LKA
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BU of 7lka by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23
Descriptor: ACETATE ION, COV107-23 heavy chain, COV107-23 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-02
Release date:2021-02-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.981 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
7LK9
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BU of 7lk9 by Molmil
Crystal structure of SARS-CoV-2 RBD-targeting antibody COV107-23 HC + COVD21-C8 LC
Descriptor: COV107-23 heavy chain, COVD21-C8 light chain
Authors:Yuan, M, Zhu, X, Wilson, I.A, Wu, N.C.
Deposit date:2021-02-01
Release date:2021-02-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.4 Å)
Cite:Sequence signatures of two public antibody clonotypes that bind SARS-CoV-2 receptor binding domain.
Nat Commun, 12, 2021
4N7R
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BU of 4n7r by Molmil
Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its binding protein
Descriptor: Genomic DNA, chromosome 3, P1 clone: MXL8, ...
Authors:Zhao, A, Fang, Y, Lin, Y, Gong, W, Liu, L.
Deposit date:2013-10-16
Release date:2014-05-14
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.802 Å)
Cite:Crystal structure of Arabidopsis glutamyl-tRNA reductase in complex with its stimulator protein
Proc.Natl.Acad.Sci.USA, 111, 2014
6KI1
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BU of 6ki1 by Molmil
The transmembrane domain of a cyanobacterium bicarbonate transporter BicA
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, BICARBONATE ION, Low affinity sulfate transporter, ...
Authors:Zhang, P, Wang, C.C.
Deposit date:2019-07-17
Release date:2019-11-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.809 Å)
Cite:Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
6KI2
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BU of 6ki2 by Molmil
The STAS domain of cyanobacteria bicarbonate transporter BicA
Descriptor: Low affinity sulfate transporter, SULFATE ION
Authors:Zhang, P, Wang, C.C.
Deposit date:2019-07-17
Release date:2019-11-20
Last modified:2019-12-25
Method:X-RAY DIFFRACTION (2.197 Å)
Cite:Structural mechanism of the active bicarbonate transporter from cyanobacteria.
Nat.Plants, 5, 2019
7DCN
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BU of 7dcn by Molmil
Apo-citrate lyase phosphoribosyl-dephospho-CoA transferase
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, SULFATE ION, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.695 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
7DCM
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BU of 7dcm by Molmil
Crystal structure of CITX
Descriptor: Probable apo-citrate lyase phosphoribosyl-dephospho-CoA transferase, ZINC ION
Authors:Xu, H, Wang, B, Su, X.D.
Deposit date:2020-10-26
Release date:2021-11-03
Last modified:2023-05-17
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Co-evolution-based prediction of metal-binding sites in proteomes by machine learning.
Nat.Chem.Biol., 19, 2023
5XFJ
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BU of 5xfj by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550M)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-08-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (3.25 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
5XFF
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BU of 5xff by Molmil
Crystal structure of LY2874455 in complex of FGFR4 gatekeeper mutation (V550L)
Descriptor: 2-[4-[E-2-[5-[(1R)-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol, Fibroblast growth factor receptor 4
Authors:Wu, D, Chen, Y.
Deposit date:2017-04-10
Release date:2018-09-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:LY2874455 potently inhibits FGFR gatekeeper mutants and overcomes mutation-based resistance.
Chem. Commun. (Camb.), 54, 2018
3HYF
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BU of 3hyf by Molmil
Crystal structure of HIV-1 RNase H p15 with engineered E. coli loop and active site inhibitor
Descriptor: 2-(3,4-dichlorobenzyl)-5,6-dihydroxypyrimidine-4-carboxylic acid, ACETATE ION, GLYCEROL, ...
Authors:Lansdon, E.B, Kirschberg, T.A.
Deposit date:2009-06-22
Release date:2009-10-20
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:RNase H active site inhibitors of human immunodeficiency virus type 1 reverse transcriptase: design, biochemical activity, and structural information.
J.Med.Chem., 52, 2009
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
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:2013-12-11
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
4FRS
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BU of 4frs by Molmil
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Descriptor: (2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one, Beta-secretase 1
Authors:Orth, P.
Deposit date:2012-06-26
Release date:2012-08-08
Last modified:2013-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
ACS Med Chem Lett, 3, 2012
4IKT
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BU of 4ikt 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-(5-(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 (1.6 Å)
Cite:Identification, Biochemical and Structural Evaluation of Species-Specific Inhibitors against Type I Methionine Aminopeptidases
J.Med.Chem., 56, 2013
4IMG
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BU of 4img by Molmil
Crystal Structure of Pasteurella multocida N-Acetyl-D-Neuraminic acid lyase K164 mutant complexed with N-Glycolylneuraminic acid
Descriptor: 1-ETHOXY-2-(2-METHOXYETHOXY)ETHANE, 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-D-galacto-non-2-ulosonic acid, 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 (1.85 Å)
Cite:Structural Basis for Substrate Specificity and Mechanism of N-Acetyl-d-neuraminic Acid Lyase from Pasteurella multocida.
Biochemistry, 52, 2013
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

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