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2YB8
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BU of 2yb8 by Molmil
Crystal structure of Nurf55 in complex with Su(z)12
Descriptor: POLYCOMB PROTEIN SU(Z)12, PROBABLE HISTONE-BINDING PROTEIN CAF1, SULFATE ION
Authors:Schmitges, F.W, Prusty, A.B, Faty, M, Stutzer, A, Lingaraju, G.M, Aiwazian, J, Sack, R, Hess, D, Li, L, Zhou, S, Bunker, R.D, Wirth, U, Bouwmeester, T, Bauer, A, Ly-Hartig, N, Zhao, K, Chan, H, Gu, J, Gut, H, Fischle, W, Muller, J, Thoma, N.H.
Deposit date:2011-03-02
Release date:2011-05-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Histone Methylation by Prc2 is Inhibited by Active Chromatin Marks.
Mol.Cell, 42, 2011
3OWG
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BU of 3owg by Molmil
Crystal structure of vaccinia virus Polyadenylate polymerase(vp55)
Descriptor: Poly(A) polymerase catalytic subunit
Authors:Li, C, Li, H, Zhou, S, Gershon, P.D, Poulos, T.L.
Deposit date:2010-09-17
Release date:2011-09-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.86 Å)
Cite:Domain-level rocking motion within a polymerase that translocates on single-stranded nucleic acid.
Acta Crystallogr.,Sect.D, 69, 2013
1XZY
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BU of 1xzy by Molmil
Solution structure of the P30-trans form of Alpha Hemoglobin Stabilizing Protein (AHSP)
Descriptor: Alpha-hemoglobin stabilizing protein
Authors:Gell, D.A, Feng, L, Zhou, S, Kong, Y, Lee, C, Weiss, M.J, Shi, Y, Mackay, J.P.
Deposit date:2004-11-12
Release date:2004-12-21
Last modified:2022-03-02
Method:SOLUTION NMR
Cite:Molecular mechanism of AHSP-mediated stabilization of alpha-hemoglobin
Cell(Cambridge,Mass.), 119, 2004
1Y01
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BU of 1y01 by Molmil
Crystal structure of AHSP bound to Fe(II) alpha-hemoglobin
Descriptor: 6-[(CYCLOHEXYLACETYL)(2-HYDROXYETHYL)AMINO]-6-DEOXY-D-XYLO-HEXITOL, Alpha-hemoglobin stabilizing protein, Hemoglobin alpha chain, ...
Authors:Feng, L, Gell, D.A, Zhou, S, Gu, L, Gow, A.J, Weiss, M.J, Mackay, J.P, Shi, Y.
Deposit date:2004-11-14
Release date:2004-12-21
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular mechanism of AHSP-mediated stabilization of alpha-hemoglobin.
Cell(Cambridge,Mass.), 119, 2004
1Z8U
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BU of 1z8u by Molmil
Crystal structure of oxidized alpha hemoglobin bound to AHSP
Descriptor: Alpha-hemoglobin stabilizing protein, Hemoglobin alpha chain, PROTOPORPHYRIN IX CONTAINING FE
Authors:Feng, L, Zhou, S, Gu, L, Gell, D.A, Mackay, J.P, Weiss, M.J, Gow, A.J, Shi, Y.
Deposit date:2005-03-31
Release date:2005-06-14
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structure of oxidized alpha-haemoglobin bound to AHSP reveals a protective mechanism for haem.
Nature, 435, 2005
3ERC
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BU of 3erc by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase with three fragments of RNA and 3'-deoxy ATP
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, CALCIUM ION, Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, ...
Authors:Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
Deposit date:2008-10-01
Release date:2009-06-16
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.21 Å)
Cite:Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
3ER9
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BU of 3er9 by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with UU and 3'-deoxy ATP
Descriptor: 3'-DEOXYADENOSINE-5'-TRIPHOSPHATE, 5'-R(UP*U)-3', CALCIUM ION, ...
Authors:Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
Deposit date:2008-10-01
Release date:2009-06-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
3ER8
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BU of 3er8 by Molmil
Crystal structure of the heterodimeric vaccinia virus mRNA polyadenylate polymerase complex with two fragments of RNA
Descriptor: Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase, Poly(A) polymerase catalytic subunit, RNA/DNA chimera 5'-D(CP*CP*)R(UP*UP*)D(C)-3', ...
Authors:Li, C, Li, H, Zhou, S, Poulos, T.L, Gershon, P.D.
Deposit date:2008-10-01
Release date:2009-06-16
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:Polymerase Translocation with Respect to Single-Stranded Nucleic Acid: Looping or Wrapping of Primer around a Poly(A) Polymerase
Structure, 17, 2009
8GS8
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BU of 8gs8 by Molmil
cryo-EM structure of the human respiratory complex II
Descriptor: (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE, FE2/S2 (INORGANIC) CLUSTER, FE3-S4 CLUSTER, ...
Authors:Du, Z, Zhou, X, Lai, Y, Xu, J, Zhang, Y, Zhou, S, Liu, F, Gao, Y, Gong, H, Rao, Z.
Deposit date:2022-09-05
Release date:2023-05-10
Method:ELECTRON MICROSCOPY (2.86 Å)
Cite:Structure of the human respiratory complex II.
Proc.Natl.Acad.Sci.USA, 120, 2023
8OR1
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BU of 8or1 by Molmil
Co-crystal strucutre of PD-L1 with low molecular weight inhibitor
Descriptor: 5-[[5-[[2-chloranyl-3-(2-fluorophenyl)phenyl]methoxy]-2-[(~{E})-2-hydroxyethyliminomethyl]phenoxy]methyl]pyridine-3-carbonitrile, Programmed cell death 1 ligand 1
Authors:Zhang, H, Zhou, S, Wu, C, Zhu, M, Yu, Q, Wang, X, Awadasseid, A, Plewka, J, Magiera-Mularz, K, Wu, Y, Zhang, W.
Deposit date:2023-04-12
Release date:2023-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Design, Synthesis, and Antitumor Activity Evaluation of 2-Arylmethoxy-4-(2,2'-dihalogen-substituted biphenyl-3-ylmethoxy) Benzylamine Derivatives as Potent PD-1/PD-L1 Inhibitors.
J.Med.Chem., 66, 2023
7BR2
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BU of 7br2 by Molmil
BT4096 a gut microbial diltiazem-metabolizing enzyme
Descriptor: Lipolytic enzyme, G-D-S-L family
Authors:Ko, T.-P, Chen, C.-C, Guo, R.-T.
Deposit date:2020-03-26
Release date:2020-05-06
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.33 Å)
Cite:Structure of a gut microbial diltiazem-metabolizing enzyme suggests possible substrate binding mode.
Biochem.Biophys.Res.Commun., 527, 2020
6SRN
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BU of 6srn by Molmil
Structural basis for control of antibiotic production by bacterial hormones
Descriptor: 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid, GLYCEROL, TetR family transcriptional regulator
Authors:Fulop, V.
Deposit date:2019-09-05
Release date:2020-09-30
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
7KY1
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BU of 7ky1 by Molmil
Molecular basis for control of antibiotic production by a bacterial hormones
Descriptor: TetR family transcriptional regulator
Authors:Bhukya, H, Fulop, V.
Deposit date:2020-12-06
Release date:2021-02-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.5000335 Å)
Cite:Molecular basis for control of antibiotic production by a bacterial hormone.
Nature, 590, 2021
6ZDB
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BU of 6zdb by Molmil
NMR structural analysis of yeast Cox13 reveals its C-terminus in interaction with ATP
Descriptor: Cytochrome c oxidase subunit 13, mitochondrial
Authors:Shu, Z, Pontus, P, Peter, B, Lena, M, Pia, A.
Deposit date:2020-06-14
Release date:2021-05-19
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:NMR structural analysis of the yeast cytochrome c oxidase subunit Cox13 and its interaction with ATP.
Bmc Biol., 19, 2021
8XMS
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BU of 8xms by Molmil
Crystal structure of Porcine Circovirus type II Rep ATPase domain
Descriptor: Replication-associated protein
Authors:Guan, S.Y, Song, Y.F.
Deposit date:2023-12-28
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of the ATPase domain of porcine circovirus type 2 Rep protein.
J.Gen.Virol., 105, 2024
8FAZ
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BU of 8faz by Molmil
Cryo-EM structure of the human BCDX2 complex
Descriptor: ADENOSINE-5'-DIPHOSPHATE, DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ...
Authors:Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K.
Deposit date:2022-11-29
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
8GBJ
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BU of 8gbj by Molmil
Cryo-EM structure of a human BCDX2/ssDNA complex
Descriptor: DNA (5'-D(P*CP*CP*CP*CP*CP*C)-3'), DNA repair protein RAD51 homolog 2, DNA repair protein RAD51 homolog 3, ...
Authors:Jia, L, Wasmuth, E.V, Ruben, E.A, Sung, P, Rawal, Y, Greene, E.C, Meir, A, Olsen, S.K.
Deposit date:2023-02-26
Release date:2023-06-21
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.11 Å)
Cite:Structural insights into BCDX2 complex function in homologous recombination.
Nature, 619, 2023
6CGO
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BU of 6cgo by Molmil
Molecular basis for condensation domain-mediated chain release from the enacyloxin polyketide synthase
Descriptor: Condensation domain protein, PHOSPHATE ION
Authors:Valentic, T.R, Tsai, S.C, Challis, G.L, Lewandowski, J.R, Kosol, S, Gallo, A, Griffiths, D, Masschelein, J.L, Jenner, M, De los Santos, E.
Deposit date:2018-02-20
Release date:2019-02-27
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural basis for chain release from the enacyloxin polyketide synthase.
Nat.Chem., 11, 2019
6M1K
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BU of 6m1k by Molmil
USP7 in complex with a novel inhibitor
Descriptor: Ubiquitin carboxyl-terminal hydrolase 7, methyl 4-[[4-[[3-[4-(aminomethyl)phenyl]-2-methyl-7-oxidanylidene-pyrazolo[4,3-d]pyrimidin-6-yl]methyl]-4-oxidanyl-piperidin-1-yl]methyl]-3-chloranyl-benzoate
Authors:Liu, S.J, Zhou, X.Y, Li, M.L, Sun, H.B, Wen, X.A.
Deposit date:2020-02-26
Release date:2021-03-10
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.255 Å)
Cite:N-benzylpiperidinol derivatives as novel USP7 inhibitors: Structure-activity relationships and X-ray crystallographic studies.
Eur.J.Med.Chem., 199, 2020
6W51
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BU of 6w51 by Molmil
Structure of the antibody fragment H2 in complex with HLA-A*02:01/p53R175H
Descriptor: Beta-2-microglobulin, Cellular tumor antigen p53 peptide, Immunoglobulin heavy chain H2, ...
Authors:Wright, K.M, Gabelli, S.B.
Deposit date:2020-03-12
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (3.53 Å)
Cite:Targeting a neoantigen derived from a common TP53 mutation.
Science, 371, 2021
6UJ8
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BU of 6uj8 by Molmil
Crystal structure of HLA-B*07:02 with wild-type IDH2 peptide
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, HLA class I histocompatibility antigen, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ9
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BU of 6uj9 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide in complex with Fab
Descriptor: 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
Authors:Miller, M.S, Thirawatananond, P, Aytenfisu, T.Y, Wright, K, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
6UJ7
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BU of 6uj7 by Molmil
Crystal structure of HLA-B*07:02 with R140Q mutant IDH2 peptide
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B-7 alpha chain, ...
Authors:Miller, M.S, Thirawatananond, P, Gabelli, S.B.
Deposit date:2019-10-02
Release date:2021-05-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural engineering of chimeric antigen receptors targeting HLA-restricted neoantigens.
Nat Commun, 12, 2021
7RW7
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BU of 7rw7 by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor Compound 9
Descriptor: (3'R)-2-[(cyclopropylmethyl)amino]-6-(4-methoxyphenyl)-1'-[(1H-pyrazol-5-yl)methyl]-5,6-dihydro-7H-spiro[pyrido[4,3-d]pyrimidine-8,3'-pyrrolidin]-7-one, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022
7RWH
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BU of 7rwh by Molmil
Crystal structure of human methionine adenosyltransferase 2A (MAT2A) in complex with SAM and allosteric inhibitor AGI-41998
Descriptor: 1,2-ETHANEDIOL, 8-(4-bromophenyl)-6-(4-methoxyphenyl)-2-[2,2,2-tris(fluoranyl)ethylamino]pyrido[4,3-d]pyrimidin-7-ol, CHLORIDE ION, ...
Authors:Jin, L, Padyana, A.K.
Deposit date:2021-08-19
Release date:2022-03-23
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Leveraging Structure-Based Drug Design to Identify Next-Generation MAT2A Inhibitors, Including Brain-Penetrant and Peripherally Efficacious Leads.
J.Med.Chem., 65, 2022

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