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7ZVV
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BU of 7zvv by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2196
Descriptor: (2R)-6-azanyl-2-carbamimidamido-hexanoic acid, 2-[3-(aminomethyl)phenyl]ethanoic acid, 3-cyano-L-phenylalanine, ...
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-05-17
Release date:2023-05-24
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
2I4O
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BU of 2i4o by Molmil
Rhodopseudomonas palustris prolyl-tRNA synthetase in complex with ATP
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, Proline-tRNA ligase
Authors:Crepin, T, Yaremchuk, A, Tukalo, M, Cusack, S.
Deposit date:2006-08-22
Release date:2006-10-24
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structures of Two Bacterial Prolyl-tRNA Synthetases with and without a cis-Editing Domain.
Structure, 14, 2006
7ZW4
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BU of 7zw4 by Molmil
Crystal structure of Talin R7R8 domains with Caskin-2 LD-peptide
Descriptor: Caskin-2, Talin-1
Authors:Celie, P.H.N, Joosten, R.P, Sonnenberg, A, Perrakis, A.
Deposit date:2022-05-18
Release date:2023-05-31
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Caskin2 is a novel talin- and Abi1-binding protein that promotes cell motility.
J.Cell.Sci., 137, 2024
1NRS
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BU of 1nrs by Molmil
CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), HIRUGEN, ...
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1994-01-18
Release date:1994-05-31
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
8A15
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BU of 8a15 by Molmil
Crystal Structure of Unlinked NS2B-NS3 Protease from Zika Virus in Complex with Inhibitor MI-2230
Descriptor: 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine, Serine protease NS3, Serine protease subunit NS2B
Authors:Huber, S, Steinmetzer, T.
Deposit date:2022-05-31
Release date:2023-06-14
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Synthesis and structural characterization of new macrocyclic inhibitors of the Zika virus NS2B-NS3 protease.
Arch Pharm, 2024
1NRO
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BU of 1nro by Molmil
CRYSTALLOGRAPHIC STRUCTURES OF THROMBIN COMPLEXED WITH THROMBIN RECEPTOR PEPTIDES: EXISTENCE OF EXPECTED AND NOVEL BINDING MODES
Descriptor: ALPHA-THROMBIN (LARGE SUBUNIT), ALPHA-THROMBIN (SMALL SUBUNIT), RECEPTOR BASED PEPTIDE NRP
Authors:Tulinsky, A, Mathews, I.I.
Deposit date:1994-01-18
Release date:1994-05-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Crystallographic structures of thrombin complexed with thrombin receptor peptides: existence of expected and novel binding modes.
Biochemistry, 33, 1994
4EHZ
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BU of 4ehz by Molmil
The Jak1 kinase domain in complex with inhibitor
Descriptor: 1,2-ETHANEDIOL, 2-methyl-1-(piperidin-4-yl)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridine, Tyrosine-protein kinase JAK1
Authors:Lupardus, P.J, Steffek, M.
Deposit date:2012-04-04
Release date:2012-07-04
Last modified:2013-01-23
Method:X-RAY DIFFRACTION (2.174 Å)
Cite:Discovery and optimization of C-2 methyl imidazopyrrolopyridines as potent and orally bioavailable JAK1 inhibitors with selectivity over JAK2.
J.Med.Chem., 55, 2012
7ZJ2
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BU of 7zj2 by Molmil
Amyloid fibril (in vitro) from full-length hnRNPA1 protein
Descriptor: Isoform A1-A of Heterogeneous nuclear ribonucleoprotein A1
Authors:Sharma, K, Banerjee, S, Schmidt, M, Faendrich, M.
Deposit date:2022-04-08
Release date:2023-08-02
Last modified:2024-07-24
Method:ELECTRON MICROSCOPY (3.32 Å)
Cite:Cryo-EM Structure of the Full-length hnRNPA1 Amyloid Fibril.
J.Mol.Biol., 435, 2023
1RE8
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BU of 1re8 by Molmil
Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2
Descriptor: 3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-4-YL 4-(2-HYDROXYBENZOYL)BENZOATE, N-OCTANE, cAMP-dependent protein kinase, ...
Authors:Akamine, P, Madhusudan, Brunton, L.L, Ou, H.D, Canaves, J.M, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-06
Release date:2004-02-24
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Balanol analogues probe specificity determinants and the conformational malleability of the cyclic 3',5'-adenosine monophosphate-dependent protein kinase catalytic subunit
Biochemistry, 43, 2004
8ARF
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BU of 8arf by Molmil
Crystal structure of the N-terminal parallel dimeric coiled-coil region of the human kinetochore associated protein Spindly
Descriptor: Protein Spindly
Authors:Perrakis, A, Ahmad, M.U.
Deposit date:2022-08-16
Release date:2022-09-07
Last modified:2022-09-28
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Conformational transitions of the Spindly adaptor underlie its interaction with Dynein and Dynactin.
J.Cell Biol., 221, 2022
7ZSH
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BU of 7zsh by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 2 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSI
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BU of 7zsi by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 5 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.399 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSJ
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BU of 7zsj by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 10 minutes of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZSF
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BU of 7zsf by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
4N8T
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BU of 4n8t by Molmil
Human hemoglobin nitric oxide adduct
Descriptor: Hemoglobin subunit alpha, Hemoglobin subunit beta, NITRIC OXIDE, ...
Authors:Yi, J, Richter-Addo, G.B.
Deposit date:2013-10-18
Release date:2014-10-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic characterization of the nitric oxide derivative of R-state human hemoglobin.
Nitric Oxide, 39, 2014
7ZQ0
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BU of 7zq0 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (1000 frames)
Descriptor: Endo-1,4-beta-xylanase
Authors:Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
Deposit date:2022-04-29
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
7ZSG
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BU of 7zsg by Molmil
Structure of Orange Carotenoid Protein with canthaxanthin bound after 1 minute of illumination
Descriptor: ACETATE ION, CHLORIDE ION, GLYCEROL, ...
Authors:Chukhutsina, V.U, Baxter, J.M, Fadini, A, Morgan, R.M, Pope, M.A, Maghlaoui, K, Orr, C, Wagner, A, van Thor, J.J.
Deposit date:2022-05-06
Release date:2022-11-09
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:Light activation of Orange Carotenoid Protein reveals bicycle-pedal single-bond isomerization.
Nat Commun, 13, 2022
7ZPV
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BU of 7zpv by Molmil
Room temperature SSX crystal structure of CTX-M-14
Descriptor: Beta-lactamase, SULFATE ION
Authors:Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
Deposit date:2022-04-29
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
4N6H
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BU of 4n6h by Molmil
1.8 A Structure of the human delta opioid 7TM receptor (PSI Community Target)
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (4bS,8R,8aS,14bR)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol, L(+)-TARTARIC ACID, ...
Authors:Fenalti, G, Giguere, P.M, Katritch, V, Huang, X.-P, Thompson, A.A, Han, G.W, Cherezov, V, Roth, B.L, Stevens, R.C, GPCR Network (GPCR)
Deposit date:2013-10-12
Release date:2013-12-25
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular control of delta-opioid receptor signalling.
Nature, 506, 2014
8AF7
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BU of 8af7 by Molmil
Room temperature SSX crystal structure of CTX-M-14 (10K dataset)
Descriptor: Beta-lactamase, SULFATE ION
Authors:Oberthuer, D, Perbandt, M, Prester, A, Rohde, H, Betzel, C, Yefanov, O.
Deposit date:2022-07-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
8AF6
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BU of 8af6 by Molmil
Room temperature SSX structure of GH11 xylanase from Nectria haematococca (4000 frames)
Descriptor: Endo-1,4-beta-xylanase
Authors:Oberthuer, D, Andaleeb, H, Betzel, C, Perbandt, M, Yefanov, O, Zielinski, K.
Deposit date:2022-07-15
Release date:2022-11-16
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Rapid and efficient room-temperature serial synchrotron crystallography using the CFEL TapeDrive.
Iucrj, 9, 2022
4ND5
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BU of 4nd5 by Molmil
Crystal structure of the lactate dehydrogenase from cryptosporidium parvum
Descriptor: Lactate dehydrogenase, adjacent gene encodes predicted malate dehydrogenase
Authors:Chattopadhyay, D, Cook, W.J.
Deposit date:2013-10-25
Release date:2014-12-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Biochemical and structural characterization of Cryptosporidium parvum Lactate dehydrogenase.
Int.J.Biol.Macromol., 74C, 2014
7Z72
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BU of 7z72 by Molmil
Crystal structure of p63 SAM in complex with darpin A5
Descriptor: DI(HYDROXYETHYL)ETHER, Darpin A5, Isoform 9 of Tumor protein 63
Authors:Chaikuad, A, Strubel, A, Doetsch, V, Knapp, S, Structural Genomics Consortium (SGC)
Deposit date:2022-03-14
Release date:2022-07-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Designed Ankyrin Repeat Proteins as a tool box for analyzing p63.
Cell Death Differ., 29, 2022
1SXJ
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BU of 1sxj by Molmil
Crystal Structure of the Eukaryotic Clamp Loader (Replication Factor C, RFC) Bound to the DNA Sliding Clamp (Proliferating Cell Nuclear Antigen, PCNA)
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Activator 1 37 kDa subunit, Activator 1 40 kDa subunit, ...
Authors:Bowman, G.D, O'Donnell, M, Kuriyan, J.
Deposit date:2004-03-30
Release date:2004-06-22
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Structural analysis of a eukaryotic sliding DNA clamp-clamp loader complex.
Nature, 429, 2004
7Z2H
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BU of 7z2h by Molmil
Cryo-EM structure of NNRTI resistant M184I/E138K mutant HIV-1 reverse transcriptase with a DNA aptamer in complex with doravirine
Descriptor: 3-chloro-5-({1-[(4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl]-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl}oxy)benzonitrile, DNA (38-MER), Reverse transcriptase/ribonuclease H, ...
Authors:Singh, A.K, Das, K.
Deposit date:2022-02-27
Release date:2022-07-20
Last modified:2024-07-17
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Cryo-EM structures of wild-type and E138K/M184I mutant HIV-1 RT/DNA complexed with inhibitors doravirine and rilpivirine.
Proc.Natl.Acad.Sci.USA, 119, 2022

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