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6QH8
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BU of 6qh8 by Molmil
Structure of knotted YibK from P. aeruginosa
Descriptor: DI(HYDROXYETHYL)ETHER, SULFATE ION, tRNA (cytidine(34)-2'-O)-methyltransferase
Authors:Mikula, K.M, Tascon, I, Iwai, H.
Deposit date:2019-01-16
Release date:2020-07-15
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Tying up the Loose Ends: A Mathematically Knotted Protein.
Front Chem, 9, 2021
6K1Q
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BU of 6k1q by Molmil
Human endothelin receptor type-B in complex with inverse agonist IRL2500
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2~{S})-2-[[(2~{R})-2-[(3,5-dimethylphenyl)carbonyl-methyl-amino]-3-(4-phenylphenyl)propanoyl]amino]-3-(1~{H}-indol-3-yl)propanoic acid, Endothelin B receptor,Endolysin,Endothelin B receptor, ...
Authors:Nagiri, C, Shihoya, W, Nureki, O.
Deposit date:2019-05-11
Release date:2019-07-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of human endothelin ETBreceptor in complex with peptide inverse agonist IRL2500.
Commun Biol, 2, 2019
4USP
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BU of 4usp by Molmil
X-ray structure of the dimeric CCL2 lectin in native form
Descriptor: CCL2 LECTIN, CHLORIDE ION, PHOSPHATE ION
Authors:Bleuler-Martinez, S, Varrot, A, Schubert, M, Stutz, M, Sieber, R, Hengartner, M, Aebi, M, Kunzler, M.
Deposit date:2014-07-11
Release date:2015-07-22
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Dimerization of the fungal defense lectin CCL2 is essential for its toxicity against nematodes.
Glycobiology, 27, 2017
6K5L
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BU of 6k5l by Molmil
The crystal structure of isocitrate dehydrogenase kinase/phosphatase wtih two Mn2+ from E. coli
Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, Isocitrate dehydrogenase kinase/phosphatase, ...
Authors:Zhang, X, Lei, Z, Zheng, J, Jia, Z.
Deposit date:2019-05-29
Release date:2019-07-03
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Characterization of metal binding of bifunctional kinase/phosphatase AceK and implication in activity modulation.
Sci Rep, 9, 2019
1CGN
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BU of 1cgn by Molmil
CYTOCHROME C'
Descriptor: CYTOCHROME C, HEME C
Authors:Dobbs, A.J, Faber, H.R, Anderson, B.F, Baker, E.N.
Deposit date:1995-05-01
Release date:1995-07-31
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Three-dimensional structure of cytochrome c' from two Alcaligenes species and the implications for four-helix bundle structures.
Acta Crystallogr.,Sect.D, 52, 1996
4V11
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BU of 4v11 by Molmil
Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84
Descriptor: CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ...
Authors:Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R.
Deposit date:2014-09-22
Release date:2015-02-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1.
J.Neurosci., 35, 2015
6K30
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BU of 6k30 by Molmil
Binding pose 2 of 2-CF3 bound AsqJ complex
Descriptor: (3~{Z})-4-methyl-3-[[4-(trifluoromethyl)phenyl]methylidene]-1~{H}-1,4-benzodiazepine-2,5-dione, FE (III) ION, Iron/alpha-ketoglutarate-dependent dioxygenase asqJ, ...
Authors:Liao, H.J, Chan, N.L.
Deposit date:2019-05-15
Release date:2020-03-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.684 Å)
Cite:Binding pose 2 of 2-CF3 bound AsqJ complex
J.Am.Chem.Soc., 2020
6QK4
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BU of 6qk4 by Molmil
Lytic transglycosylase, LtgG, of Burkholderia pseudomallei.
Descriptor: Membrane-bound lytic murein transglycosylase A
Authors:Jenkins, C.H, Wallis, R, Allcock, N, Barnes, K.B, Richards, M.I, Auty, J.M, Galyov, E.E, Harding, S.V, Mukamolova, G.V.
Deposit date:2019-01-28
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:The lytic transglycosylase, LtgG, controls cell morphology and virulence in Burkholderia pseudomallei.
Sci Rep, 9, 2019
6KLW
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BU of 6klw by Molmil
Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore with long stem
Descriptor: CALCIUM ION, Iota toxin component Ia, Iota toxin component Ib
Authors:Yoshida, T, Yamada, T, Kawamoto, A, Mitsuoka, K, Iwasaki, K, Tsuge, H.
Deposit date:2019-07-30
Release date:2020-01-15
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Cryo-EM structures reveal translocational unfolding in the clostridial binary iota toxin complex.
Nat.Struct.Mol.Biol., 27, 2020
4UWE
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BU of 4uwe by Molmil
Structure of the ryanodine receptor at resolution of 8.5 A in partially open state
Descriptor: RYANODINE RECEPTOR 1
Authors:Efremov, R.G, Leitner, A, Aebersold, R, Raunser, S.
Deposit date:2014-08-11
Release date:2014-12-10
Last modified:2024-05-08
Method:ELECTRON MICROSCOPY (8.5 Å)
Cite:Architecture and Conformational Switch Mechanism of the Ryanodine Receptor.
Nature, 517, 2015
6K6U
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BU of 6k6u by Molmil
Crystal structure of the human YTHDC2 YTH domain
Descriptor: 3'-5' RNA helicase YTHDC2
Authors:Ma, C, Liao, S, Xu, C.
Deposit date:2019-06-04
Release date:2019-12-25
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal structure of human YTHDC2 YTH domain.
Biochem.Biophys.Res.Commun., 518, 2019
6QHO
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BU of 6qho by Molmil
Dual specificity mitogen-activated protein kinase kinase 7 in complex with pyrazolopyrimidine 1a
Descriptor: 1-[(3~{R})-3-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl]propan-1-one, Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-17
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
1CKK
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BU of 1ckk by Molmil
CALMODULIN/RAT CA2+/CALMODULIN DEPENDENT PROTEIN KINASE FRAGMENT
Descriptor: CALCIUM ION, Calcium/calmodulin-dependent protein kinase kinase 1, Calmodulin-1
Authors:Osawa, M, Tokumitsu, H, Swindells, M.B, Kurihara, H, Orita, M, Shibanuma, T, Furuya, T, Ikura, M.
Deposit date:1998-11-20
Release date:1999-09-10
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:A novel target recognition revealed by calmodulin in complex with Ca2+-calmodulin-dependent kinase kinase.
Nat.Struct.Biol., 6, 1999
6QFL
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BU of 6qfl by Molmil
Structure of the mitogen activated kinase kinase 7 active conformation
Descriptor: Dual specificity mitogen-activated protein kinase kinase 7
Authors:Wolle, P, Mueller, M.P, Rauh, D.
Deposit date:2019-01-10
Release date:2019-05-22
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Characterization of Covalent Pyrazolopyrimidine-MKK7 Complexes and a Report on a Unique DFG-in/Leu-in Conformation of Mitogen-Activated Protein Kinase Kinase 7 (MKK7).
J.Med.Chem., 62, 2019
4V6B
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BU of 4v6b by Molmil
Crystal structure of human ferritin Phe167SerfsX26 mutant.
Descriptor: CALCIUM ION, Ferritin
Authors:Hurley, T.D, Vidal, R.
Deposit date:2009-06-19
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Unraveling of the E-helices and disruption of 4-fold pores are associated with iron mishandling in a mutant ferritin causing neurodegeneration
J.Biol.Chem., 285, 2010
6QG5
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BU of 6qg5 by Molmil
Structure of eIF2B-eIF2 (phosphorylated at Ser51) complex (model C)
Descriptor: Eukaryotic translation initiation factor 2 subunit alpha, Eukaryotic translation initiation factor 2 subunit beta, Eukaryotic translation initiation factor 2 subunit gamma, ...
Authors:Llacer, J.L, Gordiyenko, Y, Ramakrishnan, V.
Deposit date:2019-01-10
Release date:2019-06-26
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (10.1 Å)
Cite:Structural basis for the inhibition of translation through eIF2 alpha phosphorylation.
Nat Commun, 10, 2019
4V7G
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BU of 4v7g by Molmil
Crystal Structure of Lumazine Synthase from Bacillus Anthracis
Descriptor: 6,7-dimethyl-8-ribityllumazine synthase, PHOSPHATE ION
Authors:Morgunova, E, Illarionov, B, Saller, S, Popov, A, Sambaiah, T, Bacher, A, Cushman, M, Fischer, M, Ladenstein, R.
Deposit date:2009-09-16
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural study and thermodynamic characterization of inhibitor binding to lumazine synthase from Bacillus anthracis.
Acta Crystallogr.,Sect.D, 66, 2010
6JU4
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BU of 6ju4 by Molmil
Aspergillus oryzae pro-tyrosinase F513Y mutant
Descriptor: COPPER (II) ION, Tyrosinase
Authors:Fujieda, N, Umakoshi, K, Nishikawa, Y, Kurisu, G, Itoh, S.
Deposit date:2019-04-13
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Copper-Oxygen Dynamics in the Tyrosinase Mechanism.
Angew.Chem.Int.Ed.Engl., 59, 2020
4V99
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BU of 4v99 by Molmil
The Crystallographic Structure of Panicum Mosaic Virus
Descriptor: 5'-R(P*UP*UP*AP*AP*UP*AP*UP*UP*UP*UP*UP*AP*UP*UP*UP*UP*U)-3', CALCIUM ION, Capsid protein
Authors:Makino, D.L, Larson, S.B, McPherson, A.
Deposit date:2012-07-04
Release date:2014-07-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:The crystallographic structure of Panicum Mosaic Virus (PMV).
J.Struct.Biol., 181, 2013
4W4M
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BU of 4w4m by Molmil
Crystal structure of PrgK 19-92
Descriptor: Lipoprotein PrgK
Authors:Bergeron, J.R.C, Strynadka, N.C.J.
Deposit date:2014-08-15
Release date:2014-10-29
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:The Modular Structure of the Inner-Membrane Ring Component PrgK Facilitates Assembly of the Type III Secretion System Basal Body.
Structure, 23, 2015
1CRJ
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BU of 1crj by Molmil
THE ROLE OF A CONSERVED INTERNAL WATER MOLECULE AND ITS ASSOCIATED HYDROGEN BOND NETWORK IN CYTOCHROME C
Descriptor: CYTOCHROME C, HEME C, SULFATE ION
Authors:Berghuis, A.M, Brayer, G.D.
Deposit date:1993-08-06
Release date:1994-01-31
Last modified:2021-03-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The role of a conserved internal water molecule and its associated hydrogen bond network in cytochrome c.
J.Mol.Biol., 236, 1994
6JVH
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BU of 6jvh by Molmil
Crystal structure of human MTH1 in complex with compound MI0320
Descriptor: 4-amino-6-fluoroquinoline-3-carbohydrazide, 7,8-dihydro-8-oxoguanine triphosphatase
Authors:Peng, C, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
4W5U
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BU of 4w5u by Molmil
Crystal structure of chitinase 40 from thermophilic bacteria Streptomyces thermoviolaceus.
Descriptor: Chitinase, MALONATE ION
Authors:Malecki, P.H, Vorgias, C.E, Rypniewski, W.
Deposit date:2014-08-18
Release date:2015-08-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.771 Å)
Cite:The Crystal Structure of a Streptomyces thermoviolaceus Thermophilic Chitinase Known for Its Refolding Efficiency
Int J Mol Sci, 2020
6JVO
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BU of 6jvo by Molmil
Crystal structure of human MTH1 in complex with compound MI1022
Descriptor: 7,8-dihydro-8-oxoguanine triphosphatase, N4-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
Authors:Peng, C, Li, Y.H, Cheng, Y.S.
Deposit date:2019-04-17
Release date:2020-10-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.902 Å)
Cite:Inhibitor development of MTH1 via high-throughput screening with fragment based library and MTH1 substrate binding cavity.
Bioorg.Chem., 110, 2021
1CTU
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BU of 1ctu by Molmil
TRANSITION-STATE SELECTIVITY FOR A SINGLE OH GROUP DURING CATALYSIS BY CYTIDINE DEAMINASE
Descriptor: 4-HYDROXY-3,4-DIHYDRO-ZEBULARINE, CYTIDINE DEAMINASE, ZINC ION
Authors:Xiang, S, Short, S.A, Wolfenden, R, Carter, C.W.
Deposit date:1995-02-11
Release date:1995-05-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Transition-state selectivity for a single hydroxyl group during catalysis by cytidine deaminase.
Biochemistry, 34, 1995

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