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6PKD
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BU of 6pkd by Molmil
Myocilin OLF mutant N428D/D478H
Descriptor: Myocilin, SODIUM ION
Authors:Lieberman, R.L, Hill, S.E.
Deposit date:2019-06-29
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Calcium-ligand variants of the myocilin olfactomedin propeller selected from invertebrate phyla reveal cross-talk with N-terminal blade and surface helices.
Acta Crystallogr D Struct Biol, 75, 2019
4ZG0
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BU of 4zg0 by Molmil
Crystal structure of Mouse Syndesmos protein
Descriptor: Protein syndesmos
Authors:Lee, I, Kim, H, Yoo, J, Cho, H, Lee, W.
Deposit date:2015-04-22
Release date:2016-04-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal structure of syndesmos and its interaction with Syndecan-4 proteoglycan
Biochem.Biophys.Res.Commun., 463, 2015
8ITP
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BU of 8itp by Molmil
Crystal structure of USP47 catalytic domain complex with ubiquitin
Descriptor: Ubiquitin, Ubiquitin carboxyl-terminal hydrolase 47, ZINC ION
Authors:Kim, E.E, Shin, S.C.
Deposit date:2023-03-22
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural and functional characterization of USP47 reveals a hot spot for inhibitor design.
Commun Biol, 6, 2023
8ITN
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BU of 8itn by Molmil
Crystal structure of USP47apo catalytic domain
Descriptor: Ubiquitin carboxyl-terminal hydrolase 47, ZINC ION
Authors:Kim, E.E, Shin, S.C.
Deposit date:2023-03-22
Release date:2024-03-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural and functional characterization of USP47 reveals a hot spot for inhibitor design.
Commun Biol, 6, 2023
5VN1
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BU of 5vn1 by Molmil
horse liver alcohol dehydrogenae complexed with NADH (R,S)-N-1-methylhexylformamide
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (R)-N-(1-METHYL-HEXYL)-FORMAMIDE, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, ...
Authors:Plapp, B.V, Ramaswamy, S, Ferraro, D.J, Baskar Raj, S.
Deposit date:2017-04-28
Release date:2017-05-10
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Horse Liver Alcohol Dehydrogenase: Zinc Coordination and Catalysis.
Biochemistry, 56, 2017
4BIO
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BU of 4bio by Molmil
FACTOR INHIBITING HIF-1 ALPHA IN COMPLEX WITH 8-HYDROXYQUINOLINE-5- CARBOXYLIC ACID
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, FE (III) ION, GLYCEROL, ...
Authors:Chowdhury, R, Schofield, C.J.
Deposit date:2013-04-12
Release date:2013-04-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:5-Carboxy-8-hydroxyquinoline is a Broad Spectrum 2-Oxoglutarate Oxygenase Inhibitor which Causes Iron Translocation.
Chem Sci, 4, 2013
7ST5
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BU of 7st5 by Molmil
Structure of Fab CC-95251 in complex with SIRP-alpha
Descriptor: 1,2-ETHANEDIOL, Fab CC-95251 anti-SIRP-alpha heavy chain, Fab CC-95251 anti-SIRP-alpha light chain, ...
Authors:Fenalti, G.
Deposit date:2021-11-12
Release date:2023-05-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Preclinical Activity of BMS-986351, an Antibody to SIRP alpha That Enhances Macrophage-mediated Tumor Phagocytosis When Combined with Opsonizing Antibodies.
Cancer Res Commun, 4, 2024
4XV3
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BU of 4xv3 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7922
Descriptor: N'-{3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl}-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Zhang, C.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV9
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BU of 4xv9 by Molmil
B-Raf Kinase domain in complex with PLX5568
Descriptor: N-{3-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-difluorophenyl}-4-(trifluoromethyl)benzenesulfonamide, SULFATE ION, Serine/threonine-protein kinase B-raf
Authors:zhang, Y, zhang, c, wang, w.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
4XV1
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BU of 4xv1 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with PLX7904
Descriptor: N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide, Serine/threonine-protein kinase B-raf
Authors:Zhang, Y, Zhang, C.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
2NA1
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BU of 2na1 by Molmil
ULD complex
Descriptor: Polycomb complex protein BMI-1, Polyhomeotic-like 2
Authors:Cierpicki, T, Gray, F, Cho, H.
Deposit date:2015-12-17
Release date:2016-11-16
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:BMI1 regulates PRC1 architecture and activity through homo- and hetero-oligomerization.
Nat Commun, 7, 2016
6V7F
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BU of 6v7f by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 13
Descriptor: Arginase-1, MANGANESE (II) ION, {3-[(5R,7S,8S)-8-azaniumyl-8-carboxy-2-azaspiro[4.4]nonan-2-ium-7-yl]propyl}(trihydroxy)borate(1-)
Authors:Palte, R.L, Lesburg, C.A.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.02 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
5AEL
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BU of 5ael by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-597
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, {2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2014-12-26
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
5AFX
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BU of 5afx by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1238
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, MAGNESIUM ION, [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-01-27
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
6V7D
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BU of 6v7d by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 10
Descriptor: Arginase-1, MANGANESE (II) ION, {3-[(3aR,4R,5S,6aR)-4-azaniumyl-4-carboxyoctahydrocyclopenta[b]pyrrol-1-ium-5-yl]propyl}(trihydroxy)borate(1-)
Authors:Palte, R.L, Lesburg, C.A.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
6V7E
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BU of 6v7e by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 12
Descriptor: 3-[(5~{S},7~{S},8~{S})-8-azanyl-8-carboxy-1-azaspiro[4.4]nonan-7-yl]propyl-$l^{3}-oxidanyl-bis(oxidanyl)boranuide, Arginase-1, MANGANESE (II) ION
Authors:Palte, R.L.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
5AHU
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BU of 5ahu by Molmil
T. Brucei Farnesyl Diphosphate Synthase Complexed with Bisphosphonate BPH-1326
Descriptor: FARNESYL PYROPHOSPHATE SYNTHASE, PUTATIVE, MAGNESIUM ION, ...
Authors:Yang, G, Oldfield, E, No, J.H.
Deposit date:2015-02-09
Release date:2015-10-28
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.69 Å)
Cite:Inhibition of Trypanosoma Brucei Cell Growth by Lipophilic Bisphosphonates: An in Vitro and in Vivo Investigation.
Antimicrob.Agents Chemother., 59, 2015
6V7C
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BU of 6v7c by Molmil
Human Arginase1 Complexed with Bicyclic Inhibitor Compound 3
Descriptor: Arginase-1, MANGANESE (II) ION, {3-[(3aR,4S,5S,6aR)-5-azaniumyl-5-carboxyoctahydrocyclopenta[c]pyrrol-2-ium-4-yl]propyl}(trihydroxy)borate(1-)
Authors:Palte, R.L.
Deposit date:2019-12-08
Release date:2020-05-06
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery and Optimization of Rationally Designed Bicyclic Inhibitors of Human Arginase to Enhance Cancer Immunotherapy.
Acs Med.Chem.Lett., 11, 2020
4XV2
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BU of 4xv2 by Molmil
B-Raf Kinase V600E oncogenic mutant in complex with Dabrafenib
Descriptor: Dabrafenib, Serine/threonine-protein kinase B-raf
Authors:zhang, Y, zhang, c.
Deposit date:2015-01-26
Release date:2015-10-28
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:RAF inhibitors that evade paradoxical MAPK pathway activation.
Nature, 526, 2015
7XFP
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BU of 7xfp by Molmil
Crystal structure of Helicobacter pylori IceA2
Descriptor: GLYCEROL, IceA2 protein, SULFATE ION
Authors:Cho, H.Y, Song, W.S, Yoon, S.I.
Deposit date:2022-04-02
Release date:2022-12-21
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structural analysis of the virulence gene protein IceA2 from Helicobacter pylori.
Biochem.Biophys.Res.Commun., 612, 2022
7EOY
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BU of 7eoy by Molmil
Engineered Hepatitis B virus core antigen T=3
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-24
Release date:2021-09-01
Last modified:2022-02-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7FDJ
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BU of 7fdj by Molmil
Engineered Hepatitis B virus core antigen with short linker T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-07-16
Release date:2021-09-01
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7EP6
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BU of 7ep6 by Molmil
Engineered Hepatitis B virus core antigen T=4
Descriptor: Capsid protein,Immunoglobulin G-binding protein A
Authors:Jeong, H, Heo, Y, Yoo, Y, Ryu, B, Yun, J, Cho, H, Lee, W.
Deposit date:2021-04-26
Release date:2021-09-01
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Structural and Functional Characterizations of Cancer Targeting Nanoparticles Based on Hepatitis B Virus Capsid.
Int J Mol Sci, 22, 2021
7CVM
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BU of 7cvm by Molmil
Crystal structure of glucose isomerase by fixed-target serial synchrotron crystallography (500 ms)
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2020-08-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Fixed-Target Serial Synchrotron Crystallography Using Nylon Mesh and Enclosed Film-Based Sample Holder
Crystals, 10, 2020
7CVK
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BU of 7cvk by Molmil
Crystal structure of glucose isomerase by fixed-target serial synchrotron crystallography (100 ms)
Descriptor: MAGNESIUM ION, Xylose isomerase
Authors:Nam, K.H.
Deposit date:2020-08-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Fixed-Target Serial Synchrotron Crystallography Using Nylon Mesh and Enclosed Film-Based Sample Holder
Crystals, 10, 2020

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