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8REV
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BU of 8rev by Molmil
Structure of XPD stalled at a Y-fork DNA containing a interstrand crosslink
Descriptor: ADENOSINE-5'-DIPHOSPHATE, ATP-dependent DNA helicase CHL1, DNA (46-MER), ...
Authors:Kuper, J, Hove, T, Kisker, C.
Deposit date:2023-12-12
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:XPD stalled on cross-linked DNA provides insight into damage verification.
Nat.Struct.Mol.Biol., 2024
8VQ4
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BU of 8vq4 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-125A.
Descriptor: (8R)-6-(1-benzyl-1H-pyrazole-4-carbonyl)-N-[(2S,3R)-3-(2-cyclohexylethoxy)-1-(methylamino)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
1RDQ
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BU of 1rdq by Molmil
Hydrolysis of ATP in the crystal of Y204A mutant of cAMP-dependent protein kinase
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, ...
Authors:Yang, J, Ten Eyck, L.F, Xuong, N.H, Taylor, S.S.
Deposit date:2003-11-05
Release date:2004-04-13
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.26 Å)
Cite:Crystal Structure of a cAMP-dependent Protein Kinase Mutant at 1.26A: New Insights into the Catalytic Mechanism.
J.Mol.Biol., 336, 2004
8VQ3
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BU of 8vq3 by Molmil
CDK2-CyclinE1 in complex with allosteric inhibitor I-198.
Descriptor: (8R)-N-[(2S,3R)-3-(cyclohexylmethoxy)-1-(morpholin-4-yl)-1-oxobutan-2-yl]-2-[(1S)-2,2-dimethylcyclopropane-1-carbonyl]-6-(1,3-thiazole-5-carbonyl)-2,6-diazaspiro[3.4]octane-8-carboxamide, Cyclin-dependent kinase 2, G1/S-specific cyclin-E1
Authors:Hirschi, M, Johnson, E, Zhang, Y, Liu, Z, Brodsky, O, Won, S.J, Nagata, A, Petroski, M.D, Majmudar, J.D, Niessen, S, VanArsdale, T, Gilbert, A.M, Hayward, M.M, Stewart, A.E, Nager, A.R, Melillo, B, Cravatt, B.
Deposit date:2024-01-17
Release date:2024-01-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Expanding the ligandable proteome by paralog hopping with covalent probes.
Biorxiv, 2024
8UV0
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BU of 8uv0 by Molmil
Discovery of (4-Pyrazolyl)-2-Aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2
Descriptor: 1-{(4M)-4-[2-{[1-(cyclopropanesulfonyl)piperidin-4-yl]amino}-5-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrazol-1-yl}-2-methylpropan-2-ol, Cyclin-dependent kinase 2
Authors:Deller, M.C, Epling, L.B.
Deposit date:2023-11-02
Release date:2024-02-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of (4-Pyrazolyl)-2-aminopyrimidines as Potent and Selective Inhibitors of Cyclin-Dependent Kinase 2.
J.Med.Chem., 67, 2024
1I8G
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BU of 1i8g by Molmil
SOLUTION STRUCTURE OF PIN1 WW DOMAIN COMPLEXED WITH CDC25 PHOSPHOTHREONINE PEPTIDE
Descriptor: M-PHASE INDUCER PHOSPHATASE 3, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1
Authors:Wintjens, R, Wieruszeski, J.-M, Drobecq, H, Lippens, G, Landrieu, I.
Deposit date:2001-03-14
Release date:2001-07-18
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:1H NMR study on the binding of Pin1 Trp-Trp domain with phosphothreonine peptides.
J.Biol.Chem., 276, 2001
1IX4
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BU of 1ix4 by Molmil
Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Carbon Monoxide
Descriptor: CARBON MONOXIDE, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K.
Deposit date:2002-06-10
Release date:2003-09-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
8URV
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BU of 8urv by Molmil
Solution NMR structure of pro-IL-18
Descriptor: Interleukin-18
Authors:Bonin, J.P, Aramini, J.M, Kay, L.E.
Deposit date:2023-10-26
Release date:2024-05-29
Last modified:2024-07-24
Method:SOLUTION NMR
Cite:Structural transitions enable interleukin-18 maturation and signaling.
Immunity, 57, 2024
6GVQ
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BU of 6gvq by Molmil
DNA-bound pRN1 helix bundle domain with ATP and magnesium in the interaction buffer
Descriptor: DNA (5'-D(*CP*TP*GP*TP*GP*CP*TP*CP*A)-3'), functional pRN1 primase
Authors:Boudet, J, Lipps, G, Allain, F.H.-T.
Deposit date:2018-06-21
Release date:2018-12-26
Last modified:2024-07-03
Method:SOLUTION NMR
Cite:A Small Helical Bundle Prepares Primer Synthesis by Binding Two Nucleotides that Enhance Sequence-Specific Recognition of the DNA Template.
Cell, 176, 2019
1IX3
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BU of 1ix3 by Molmil
Crystal Structure of Rat Heme Oxygenase-1 in complex with Heme bound to Cyanide
Descriptor: CYANIDE ION, HEME OXYGENASE-1, PROTOPORPHYRIN IX CONTAINING FE
Authors:Sugishima, M, Sakamoto, H, Omata, Y, Hayashi, S, Noguchi, M, Fukuyama, K.
Deposit date:2002-06-10
Release date:2003-09-02
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structures of Ferrous and CO-, CN(-)-, and NO-Bound Forms of Rat Heme Oxygenase-1 (HO-1) in Complex with Heme: Structural Implications for Discrimination between CO and O(2) in HO-1.
Biochemistry, 42, 2003
1J1L
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BU of 1j1l by Molmil
Crystal structure of human Pirin: a Bcl-3 and Nuclear factor I interacting protein and a cupin superfamily member
Descriptor: FE (II) ION, Pirin
Authors:Pang, H, Bartlam, M, Zeng, Q, Gao, G.F, Rao, Z.
Deposit date:2002-12-10
Release date:2003-12-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of human pirin: an iron-binding nuclear protein and transcription cofactor
J.Biol.Chem., 279, 2004
1JSU
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BU of 1jsu by Molmil
P27(KIP1)/CYCLIN A/CDK2 COMPLEX
Descriptor: CYCLIN A, CYCLIN-DEPENDENT KINASE-2, P27, ...
Authors:Russo, A.A, Jeffrey, P.D, Pavletich, N.P.
Deposit date:1996-07-03
Release date:1997-07-29
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of the p27Kip1 cyclin-dependent-kinase inhibitor bound to the cyclin A-Cdk2 complex.
Nature, 382, 1996
1JST
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BU of 1jst by Molmil
PHOSPHORYLATED CYCLIN-DEPENDENT KINASE-2 BOUND TO CYCLIN A
Descriptor: ADENOSINE-5'-TRIPHOSPHATE, CYCLIN A, CYCLIN-DEPENDENT KINASE-2, ...
Authors:Russo, A.A, Jeffrey, P.D, Pavletich, N.P.
Deposit date:1996-07-03
Release date:1997-01-11
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis of cyclin-dependent kinase activation by phosphorylation.
Nat.Struct.Biol., 3, 1996
2LQ8
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BU of 2lq8 by Molmil
Domain interaction in Thermotoga maritima NusG
Descriptor: Transcription antitermination protein nusG
Authors:Droegemueller, J, Stegmann, C, Burmann, B, Roesch, P, Wahl, M.C, Schweimer, K.
Deposit date:2012-02-27
Release date:2013-01-23
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:An Autoinhibited State in the Structure of Thermotoga maritima NusG.
Structure, 21, 2013
1HOM
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BU of 1hom by Molmil
DETERMINATION OF THE THREE-DIMENSIONAL STRUCTURE OF THE ANTENNAPEDIA HOMEODOMAIN FROM DROSOPHILA IN SOLUTION BY 1H NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY
Descriptor: ANTENNAPEDIA PROTEIN
Authors:Qian, Y.-Q, Billeter, M, Otting, G, Muller, M, Gehring, W.J, Wuthrich, K.
Deposit date:1991-10-08
Release date:1993-10-31
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Determination of the three-dimensional structure of the Antennapedia homeodomain from Drosophila in solution by 1H nuclear magnetic resonance spectroscopy.
J.Mol.Biol., 214, 1990
1E6C
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BU of 1e6c by Molmil
K15M MUTANT OF SHIKIMATE KINASE FROM ERWINIA CHRYSANTHEMI
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, ...
Authors:Maclean, J, Krell, T, Coggins, J.R, Lapthorn, A.J.
Deposit date:2000-08-10
Release date:2001-06-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Biochemical and X-Ray Crystallographic Studies on Shikimate Kinase: The Important Structural Role of the P-Loop Lysine
Protein Sci., 10, 2001
1KBH
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BU of 1kbh by Molmil
Mutual Synergistic Folding in the Interaction Between Nuclear Receptor Coactivators CBP and ACTR
Descriptor: CREB-BINDING PROTEIN, nuclear receptor coactivator
Authors:Demarest, S.J, Martinez-Yamout, M, Chung, J, Chen, H, Xu, W, Dyson, H.J, Evans, R.M, Wright, P.E.
Deposit date:2001-11-06
Release date:2002-02-06
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Mutual synergistic folding in recruitment of CBP/p300 by p160 nuclear receptor coactivators.
Nature, 415, 2002
1K8K
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BU of 1k8k by Molmil
Crystal Structure of Arp2/3 Complex
Descriptor: ACTIN-LIKE PROTEIN 2, ACTIN-LIKE PROTEIN 3, ARP2/3 COMPLEX 16 KDA SUBUNIT, ...
Authors:Robinson, R.C, Turbedsky, K, Kaiser, D.A, Higgs, H.N, Marchand, J.-B, Choe, S, Pollard, T.D.
Deposit date:2001-10-24
Release date:2001-12-07
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Arp2/3 Complex
Science, 294, 2001
1JTC
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BU of 1jtc by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag AND LEU 44 REPLACED BY PHE (L44F)
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-20
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
7C9I
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BU of 7c9i by Molmil
Human gamma-secretase in complex with small molecule L-685,458
Descriptor: 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Yang, G, Zhou, R, Guo, X, Lei, J, Yan, C, Shi, Y.
Deposit date:2020-06-05
Release date:2021-01-27
Last modified:2021-02-03
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Structural basis of gamma-secretase inhibition and modulation by small molecule drugs.
Cell, 184, 2021
1JOW
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BU of 1jow by Molmil
Crystal structure of a complex of human CDK6 and a viral cyclin
Descriptor: CELL DIVISION PROTEIN KINASE 6, CYCLIN HOMOLOG
Authors:Schulze-Gahmen, U, Kim, S.H.
Deposit date:2001-07-31
Release date:2002-02-27
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for CDK6 activation by a virus-encoded cyclin.
Nat.Struct.Biol., 9, 2002
1K99
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BU of 1k99 by Molmil
Solution Structure of the first HMG box in human Upstream binding factor
Descriptor: Upstream binding factor 1
Authors:Xu, Y, Yang, W, Wu, J, Shi, Y.
Deposit date:2001-10-28
Release date:2001-11-14
Last modified:2024-05-29
Method:SOLUTION NMR
Cite:Solution structure of the first HMG box domain in human upstream binding factor.
Biochemistry, 41, 2002
1JK9
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BU of 1jk9 by Molmil
Heterodimer between H48F-ySOD1 and yCCS
Descriptor: SULFATE ION, ZINC ION, copper chaperone for superoxide dismutase, ...
Authors:Lamb, A.L, Torres, A.S, O'Halloran, T.V, Rosenzweig, A.C.
Deposit date:2001-07-11
Release date:2001-09-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Heterodimeric structure of superoxide dismutase in complex with its metallochaperone.
Nat.Struct.Biol., 8, 2001
1JQZ
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BU of 1jqz by Molmil
Human Acidic Fibroblast Growth Factor. 141 Amino Acid Form with Amino Terminal His Tag.
Descriptor: FORMIC ACID, acidic fibroblast growth factor
Authors:Brych, S.R, Blaber, S.I, Logan, T.M, Blaber, M.
Deposit date:2001-08-09
Release date:2001-12-19
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structure and stability effects of mutations designed to increase the primary sequence symmetry within the core region of a beta-trefoil.
Protein Sci., 10, 2001
1GII
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BU of 1gii by Molmil
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE CDK4 INHIBITOR
Descriptor: 1-(5-OXO-2,3,5,9B-TETRAHYDRO-1H-PYRROLO[2,1-A]ISOINDOL-9-YL)-3-PYRIDIN-2-YL-UREA, CELL DIVISION PROTEIN KINASE 2
Authors:Ikuta, M, Nishimura, S.
Deposit date:2001-02-06
Release date:2002-02-06
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystallographic approach to identification of cyclin-dependent kinase 4 (CDK4)-specific inhibitors by using CDK4 mimic CDK2 protein.
J.Biol.Chem., 276, 2001

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