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6RQM
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BU of 6rqm by Molmil
A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
Descriptor: A blocking anti-CTLA-4 nanobody (KN044), Cytotoxic T-lymphocyte protein 4
Authors:Zhang, F, Zhou, A, Gao, H.
Deposit date:2019-05-16
Release date:2020-07-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3 Å)
Cite:A blocking anti-CTLA-4 Nanobody (KN044) complexed with CTLA-4
To Be Published
6RP8
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BU of 6rp8 by Molmil
Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution
Descriptor: Antibody Ipilimumab heavy chain, Antibody Ipilimumab light chain, Cytotoxic T-lymphocyte protein 4
Authors:Zhang, F, Zhou, A.
Deposit date:2019-05-14
Release date:2020-07-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal Structure of Ipilimumab Fab complexed with CTLA-4 at 2.6A resolution
To Be Published
4AJT
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BU of 4ajt by Molmil
The crystal structure of mouse protein-Z dependent protease inhibitor(mZPI)
Descriptor: PROTEIN Z-DEPENDENT PROTEASE INHIBITOR
Authors:Yan, Y, Zhou, A.
Deposit date:2012-02-19
Release date:2012-12-05
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Basis for Catalytic Activation of Protein Z-Dependent Protease Inhibitor (Zpi) by Protein Z.
Blood, 120, 2012
4C49
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BU of 4c49 by Molmil
Reactive loop cleaved human CBG in complex with cortisol
Descriptor: (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione, CORTICOSTEROID-BINDING GLOBULIN
Authors:Chan, W.L, Zhou, A, Read, R.J.
Deposit date:2013-09-02
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Role of Sa-Hd Loop Movement in Cortisol Release Mechanism of Cbg
To be Published
4C41
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BU of 4c41 by Molmil
Corticosteroid-binding globulin with engineered disulphide bridge between residues 100 and 236
Descriptor: CORTICOSTEROID-BINDING GLOBULIN
Authors:Chan, W.L, Zhou, A, Read, R.J.
Deposit date:2013-08-28
Release date:2014-10-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Towards Engineering Hormone-Binding Globulins as Drug Delivery Agents.
Plos One, 9, 2014
6XY2
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BU of 6xy2 by Molmil
Crystal structure of CTLA-4 complexed with the Fab of HL32 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Cytotoxic T-lymphocyte protein 4, Heavy chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2020-01-29
Release date:2020-12-09
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structure of CTLA-4 complexed with a pH-sensitive cancer immunotherapeutic antibody.
Cell Discov, 6, 2020
5INW
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BU of 5inw by Molmil
Structure of reaction loop cleaved lamprey angiotensinogen
Descriptor: C-terminal peptide of Putative angiotensinogen, Putative angiotensinogen, SULFATE ION
Authors:Wei, H, Zhou, A.
Deposit date:2016-03-08
Release date:2016-10-05
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Heparin Binds Lamprey Angiotensinogen and Promotes Thrombin Inhibition through a Template Mechanism
J.Biol.Chem., 291, 2016
5FQL
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BU of 5fql by Molmil
Insights into Hunter syndrome from the structure of iduronate-2- sulfatase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-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, ...
Authors:Demydchuk, M, Hill, C.H, Zhou, A, Bunkoczi, G, Stein, P.E, Marchesan, D, Deane, J.E, Read, R.J.
Deposit date:2015-12-11
Release date:2017-01-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insights into Hunter syndrome from the structure of iduronate-2-sulfatase.
Nat Commun, 8, 2017
8AG1
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BU of 8ag1 by Molmil
Crystal structure of a novel OX40 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Novel OX40 antibody heavy chain, Novel OX40 antibody light chain, ...
Authors:Gao, H, Zhou, A.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.303 Å)
Cite:Structural Basis of a Novel Agonistic Anti-OX40 Antibody.
Biomolecules, 12, 2022
4ZVV
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BU of 4zvv by Molmil
Lactate dehydrogenase A in complex with a trisubstituted piperidine-2,4-dione inhibitor GNE-140
Descriptor: (2~{R})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Li, Y, Chen, Z, Eigenbrot, C.
Deposit date:2015-05-18
Release date:2016-05-18
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Metabolic plasticity underpins innate and acquired resistance to LDHA inhibition.
Nat.Chem.Biol., 12, 2016
7M42
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BU of 7m42 by Molmil
Complex of SARS-CoV-2 receptor binding domain with the Fab fragments of neutralizing antibodies REGN10985 and REGN10989
Descriptor: REGN10985 antibody Fab fragment heavy chain, REGN10985 antibody Fab fragment light chain, REGN10989 antibody Fab fragment heavy chain, ...
Authors:Zhou, Y, Romero Hernandez, A, Saotome, K, Franklin, M.C.
Deposit date:2021-03-19
Release date:2021-07-28
Last modified:2021-08-25
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:The monoclonal antibody combination REGEN-COV protects against SARS-CoV-2 mutational escape in preclinical and human studies.
Cell, 184, 2021
5KLZ
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BU of 5klz by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) AMP catalytic product complex
Descriptor: 1,2-ETHANEDIOL, ADENOSINE MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM5
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BU of 5km5 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) triciribine 5'-monoposphate catalytic product complex
Descriptor: 5-methyl-1-(5-O-phosphono-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine, CHLORIDE ION, Histidine triad nucleotide-binding protein 2, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM4
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BU of 5km4 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1)-5-Iodo-UMP complex
Descriptor: 5-IODOURIDINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM9
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BU of 5km9 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) adenosine complex
Descriptor: ADENOSINE, CHLORIDE ION, GLYCEROL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM3
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BU of 5km3 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) UMP catalytic product complex
Descriptor: GLYCEROL, Histidine triad nucleotide-binding protein 1, URIDINE-5'-MONOPHOSPHATE
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM1
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BU of 5km1 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) GMP catalytic product complex
Descriptor: 1,2-ETHANEDIOL, GUANOSINE-5'-MONOPHOSPHATE, Histidine triad nucleotide-binding protein 1
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KMA
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BU of 5kma by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside D-Trp phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-ethyl-phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM6
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BU of 5km6 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant Ara-A nucleoside phosphoramidate substrate complex
Descriptor: Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{S},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[2-(1~{H}-indol-3-yl)ethyl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KMB
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BU of 5kmb by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant nucleoside L-Trp phosphoramidate substrate complex
Descriptor: CHLORIDE ION, Histidine triad nucleotide-binding protein 1, [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-~{N}-[(2~ {S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]phosphonamidic acid
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KLY
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BU of 5kly by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) H112N mutant adenosine nucleoside phosphoramidate substrate complex
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, Histidine triad nucleotide-binding protein 1, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM0
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BU of 5km0 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint) IMP complex
Descriptor: Histidine triad nucleotide-binding protein 1, INOSINIC ACID
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.533 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM2
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BU of 5km2 by Molmil
Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) CMP catalytic product complex
Descriptor: CHLORIDE ION, CYTIDINE-5'-MONOPHOSPHATE, GLYCEROL, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5KM8
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BU of 5km8 by Molmil
Human Histidine Triad Nucleotide Binding Protein 2 (hHint2) Cidofovir complex
Descriptor: ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Maize, K.M, Finzel, B.C.
Deposit date:2016-06-26
Release date:2017-06-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Crystal Structure Based Guide to the Design of Human Histidine Triad Nucleotide Binding Protein 1 (hHint1) Activated ProTides.
Mol. Pharm., 14, 2017
5IXY
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BU of 5ixy by Molmil
Lactate Dehydrogenase in complex with hydroxylactam inhibitor compound 31: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one
Descriptor: (2~{S})-5-(2-chlorophenyl)sulfanyl-2-(4-morpholin-4-ylphenyl)-4-oxidanyl-2-thiophen-3-yl-1,3-dihydropyridin-6-one, L-lactate dehydrogenase A chain, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ...
Authors:Chen, Z, Eigenbrot, C.
Deposit date:2016-03-23
Release date:2016-09-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3 Å)
Cite:Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.
Acs Med.Chem.Lett., 7, 2016

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