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7PFQ
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BU of 7pfq by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2247
Descriptor: Inhibitor MI-2247, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Heine, A, Steinmetzer, T.
Deposit date:2021-08-11
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Structure-Based Optimization and Characterization of Macrocyclic Zika Virus NS2B-NS3 Protease Inhibitors.
J.Med.Chem., 65, 2022
2RR3
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BU of 2rr3 by Molmil
Solution structure of the complex between human VAP-A MSP domain and human OSBP FFAT motif
Descriptor: Oxysterol-binding protein 1, Vesicle-associated membrane protein-associated protein A
Authors:Furuita, K, Jee, J, Fukada, H, Mishima, M, Kojima, C.
Deposit date:2010-03-09
Release date:2010-03-23
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Electrostatic interaction between oxysterol-binding protein and VAMP-associated protein A revealed by NMR and mutagenesis studies
J.Biol.Chem., 285, 2010
5EZV
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BU of 5ezv by Molmil
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Descriptor: 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-activated protein kinase catalytic subunit alpha-2/alpha-1 RIM SWAP chimera, 5'-AMP-activated protein kinase subunit beta-1, ...
Authors:Langendorf, C.G, Kemp, B.E.
Deposit date:2015-11-26
Release date:2016-03-09
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Structural basis of allosteric and synergistic activation of AMPK by furan-2-phosphonic derivative C2 binding.
Nat Commun, 7, 2016
7PH8
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BU of 7ph8 by Molmil
Structure of Insulin-like growth factor 1 receptor's transmembrane domain
Descriptor: Insulin-like growth factor 1 receptor
Authors:Bershatsky, Y.V, Nadezhdin, K.D, Bocharova, O.V, Bocharov, E.V.
Deposit date:2021-08-16
Release date:2022-08-24
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Structure of Insulin-like growth factor 1 receptor's transmembrane domain
To Be Published
5F3I
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BU of 5f3i by Molmil
Crystal structure of human KDM4A in complex with compound 54j
Descriptor: 8-[4-[2-[4-[3,5-bis(chloranyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Le Bihan, Y.-V, Dempster, S, Westwood, I.M, van Montfort, R.L.M.
Deposit date:2015-12-02
Release date:2016-01-20
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
7PXL
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BU of 7pxl by Molmil
X-ray structure of LPMO at 3.6x10^5 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
5F16
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BU of 5f16 by Molmil
CTA-modified hen egg-white lysozyme
Descriptor: CHLORIDE ION, Lysozyme C, SODIUM ION
Authors:McGlone, C, Nix, J.C, Page, R.C.
Deposit date:2015-11-30
Release date:2016-02-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Investigating the Impact of Polymer Functional Groups on the Stability and Activity of Lysozyme-Polymer Conjugates.
Biomacromolecules, 17, 2016
8T8O
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BU of 8t8o by Molmil
CCW Flagellar Switch Complex - FliF, FliG, FliM, and FliN forming 34-mer C-ring from Salmonella
Descriptor: Flagellar M-ring protein, Flagellar motor switch protein FliG, Flagellar motor switch protein FliN, ...
Authors:Singh, P.K, Iverson, T.M.
Deposit date:2023-06-22
Release date:2024-02-28
Method:ELECTRON MICROSCOPY (4 Å)
Cite:Structural basis for directional rotation of the Salmonella flagellum
To Be Published
7PXS
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BU of 7pxs by Molmil
Room temperature X-ray structure of LPMO at 1.91x10^3 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Muderspach, S.J, Banerjee, S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
2DMA
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BU of 2dma by Molmil
Crystal Structure of PH1978 from Pyrococcus horikoshii OT3 (form II)
Descriptor: V-type ATP synthase subunit E
Authors:Lokanath, N.K, Kunishima, N, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-20
Release date:2007-01-16
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Crystal Structure of PH1978 from Pyrococcus horikoshii OT3 (form II)
To be Published
8TES
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BU of 8tes by Molmil
Human cytomegalovirus portal vertex, virion configuration 2 (VC2)
Descriptor: Capsid vertex component 1, Capsid vertex component 2, Large structural phosphoprotein, ...
Authors:Jih, J, Liu, Y.T, Liu, W, Zhou, H.
Deposit date:2023-07-06
Release date:2024-03-06
Method:ELECTRON MICROSCOPY (3.27 Å)
Cite:The incredible bulk: Human cytomegalovirus tegument architectures uncovered by AI-empowered cryo-EM.
Sci Adv, 10, 2024
2DD6
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BU of 2dd6 by Molmil
Solution structure of Dermaseptin antimicrobial peptide truncated, mutated analog, K4-S4(1-13)a
Descriptor: Dermaseptin-4
Authors:Shalev, D.E, Rotem, S, Fish, A, Mor, A.
Deposit date:2006-01-19
Release date:2006-02-28
Last modified:2021-11-10
Method:SOLUTION NMR
Cite:Consequences of N-acylation on structure and membrane binding properties of dermaseptin derivative k4-s4-(1-13)
J.Biol.Chem., 281, 2006
1O18
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BU of 1o18 by Molmil
MOLECULAR MODELS OF AVERAGED RIGOR CROSSBRIDGES FROM TOMOGRAMS OF INSECT FLIGHT MUSCLE
Descriptor: SKELETAL MUSCLE ACTIN, SKELETAL MUSCLE MYOSIN II, SKELETAL MUSCLE MYOSIN II ESSENTIAL LIGHT CHAIN, ...
Authors:Chen, L.F, Winkler, H, Reedy, M.K, Reedy, M.C, Taylor, K.A.
Deposit date:2002-11-04
Release date:2002-11-27
Last modified:2023-12-27
Method:ELECTRON MICROSCOPY (70 Å)
Cite:Molecular Modeling of Averaged Rigor Crossbridges from Tomograms of Insect Flight Muscle
J.Struct.Biol., 138, 2002
8TV9
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BU of 8tv9 by Molmil
Inner Mat-T4P complex
Descriptor: Fimbrial protein, Maturation protein
Authors:Meng, R, Xing, Z, Thongchol, J, Zhang, J.
Deposit date:2023-08-17
Release date:2024-03-06
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (8.15 Å)
Cite:Structural basis of Acinetobacter type IV pili targeting by an RNA virus.
Nat Commun, 15, 2024
2RDX
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BU of 2rdx by Molmil
Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM
Descriptor: GLYCEROL, MAGNESIUM ION, Mandelate racemase/muconate lactonizing enzyme, ...
Authors:Patskovsky, Y, Bonanno, J, Sauder, J.M, Ozyurt, S, Gilmore, M, Lau, C, Maletic, M, Gheyi, T, Wasserman, S.R, Koss, J, Gerlt, J.A, Burley, S.K, Almo, S.C, New York SGX Research Center for Structural Genomics (NYSGXRC)
Deposit date:2007-09-25
Release date:2007-10-09
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of mandelate racemase/muconate lactonizing enzyme from Roseovarius nubinhibens ISM.
To be Published
5F5C
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BU of 5f5c by Molmil
Crystal Structure of human JMJD2D complexed with KDOPP7
Descriptor: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
Authors:Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-12-04
Release date:2015-12-30
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
2DO5
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BU of 2do5 by Molmil
Solution structure of the SAP domain of human splicing factor 3B subunit 2
Descriptor: Splicing factor 3B subunit 2
Authors:Suzuki, S, Muto, Y, Inoue, M, Kigawa, T, Terada, T, Shirouzu, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
Deposit date:2006-04-27
Release date:2007-04-17
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the SAP domain of human splicing factor 3B subunit 2
To be Published
5B38
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BU of 5b38 by Molmil
KIR3DL1*005 in complex with HLA-B*57:01
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, HLA class I histocompatibility antigen, ...
Authors:Vivian, J.P, Rossjohn, J.
Deposit date:2016-02-12
Release date:2016-03-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Killer cell immunoglobulin-like receptor 3DL1 polymorphism defines distinct hierarchies of HLA class I recognition
J.Exp.Med., 213, 2016
8T48
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BU of 8t48 by Molmil
The N4BP1 CUE-like domain in complex with linear di-Ubiquitin
Descriptor: Di-Ubiquitin, GLYCEROL, LITHIUM ION, ...
Authors:Schubert, A.F, Harris, S.F.
Deposit date:2023-06-08
Release date:2024-03-13
Last modified:2024-05-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:N4BP1 coordinates ubiquitin-dependent crosstalk within the I kappa B kinase family to limit Toll-like receptor signaling and inflammation.
Immunity, 57, 2024
4LO6
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BU of 4lo6 by Molmil
HA70-alpha2,6-SiaLC
Descriptor: CHLORIDE ION, HA-70, N-acetyl-alpha-neuraminic acid-(2-6)-beta-D-galactopyranose
Authors:Lee, K, Gu, S, Jin, L, Le, T.T, Cheng, L.W, Strotmeier, J, Kruel, A.M, Yao, G, Perry, K, Rummel, A, Jin, R.
Deposit date:2013-07-12
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure of a Bimodular Botulinum Neurotoxin Complex Provides Insights into Its Oral Toxicity.
Plos Pathog., 9, 2013
7Q5N
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BU of 7q5n by Molmil
Crystal structure of Chaetomium thermophilum Ahp1-Urm1 complex
Descriptor: Thioredoxin domain-containing protein, Ubiquitin-related modifier 1, ZINC ION
Authors:Ravichandran, K.E, Wilk, P, Grudnik, P, Glatt, S.
Deposit date:2021-11-04
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:E2/E3-independent ubiquitin-like protein conjugation by Urm1 is directly coupled to cysteine persulfidation.
Embo J., 41, 2022
8TUW
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BU of 8tuw by Molmil
Type IV pilus from Pseudomonas PAO1 strain with PP7 Maturation protein
Descriptor: Maturation protein A, Type IV major pilin protein PilA
Authors:Thongchol, J, Zhang, J, Zeng, L.
Deposit date:2023-08-17
Release date:2024-03-13
Last modified:2024-04-17
Method:ELECTRON MICROSCOPY (7.9 Å)
Cite:Removal of Pseudomonas type IV pili by a small RNA virus.
Science, 384, 2024
7PXR
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BU of 7pxr by Molmil
Room temperature structure of an LPMO.
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, CHLORIDE ION, ...
Authors:Tandrup, T, Meilleur, F, Ipsen, J, Johansen, K.S, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7PXJ
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BU of 7pxj by Molmil
X-ray structure of LPMO at 5.99x10^4 Gy
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Auxiliary activity 9, COPPER (II) ION
Authors:Tandrup, T, Lo Leggio, L.
Deposit date:2021-10-08
Release date:2022-08-24
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Changes in active-site geometry on X-ray photoreduction of a lytic polysaccharide monooxygenase active-site copper and saccharide binding.
Iucrj, 9, 2022
7KBM
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BU of 7kbm by Molmil
Reverse Transcriptase Diabody with R83C Mutation Crystallized in C2
Descriptor: Single-chain scFv
Authors:Chesterman, C, Arnold, E.
Deposit date:2020-10-02
Release date:2021-03-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Co-crystallization with diabodies: A case study for the introduction of synthetic symmetry.
Structure, 29, 2021

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PDB entries from 2024-08-14

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