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8WHJ
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BU of 8whj by Molmil
Crystal structure of CLASP2 TOG4 fused with LL5beta
Descriptor: CHLORIDE ION, CLIP-associating protein 2,Pleckstrin homology-like domain family B member 2, DI(HYDROXYETHYL)ETHER
Authors:Jia, X, Wei, Z.
Deposit date:2023-09-23
Release date:2024-08-28
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:CLASP-mediated competitive binding in protein condensates directs microtubule growth.
Nat Commun, 15, 2024
6YJM
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BU of 6yjm by Molmil
Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with the Inhibitor GLPG1972
Descriptor: (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione, A disintegrin and metalloproteinase with thrombospondin motifs 5, CALCIUM ION, ...
Authors:Goepfert, A, Leonard, P, Triballeau, N, Fleury, D, Mollat, P, Lamers, M.
Deposit date:2020-04-03
Release date:2021-04-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Discovery of GLPG1972/S201086, a Potent, Selective, and Orally Bioavailable ADAMTS-5 Inhibitor for the Treatment of Osteoarthritis.
J.Med.Chem., 64, 2021
6B3O
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BU of 6b3o by Molmil
Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion
Descriptor: Spike glycoprotein
Authors:Walls, A.C, Tortorici, M.A, Snijder, J, Xiong, X, Bosch, B.J, Rey, F.A, Veesler, D.
Deposit date:2017-09-22
Release date:2017-10-04
Last modified:2020-01-01
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Tectonic conformational changes of a coronavirus spike glycoprotein promote membrane fusion.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
4M9I
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BU of 4m9i by Molmil
A125C NS2B-NS3 protease from dengue virus at pH 5.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
6HXO
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BU of 6hxo by Molmil
Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase (space group P21)
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ATP-citrate lyase alpha-subunit, CITRATE ANION
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-10-17
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
4M9F
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BU of 4m9f by Molmil
Dengue virus NS2B-NS3 protease A125C variant at pH 8.5
Descriptor: NS2B-NS3 protease
Authors:Yildiz, M, Ghosh, S, Bell, J.A, Sherman, W, Hardy, J.A.
Deposit date:2013-08-14
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
4M9T
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BU of 4m9t by Molmil
NS2B-NS3 protease from dengue virus in the presence of DTNB, a covalent allosteric inhibitor
Descriptor: CHLORIDE ION, NS2B-NS3 protease
Authors:Bell, J.A, Yildiz, M, Hardy, J.A.
Deposit date:2013-08-15
Release date:2013-11-27
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Allosteric Inhibition of the NS2B-NS3 Protease from Dengue Virus.
Acs Chem.Biol., 8, 2013
6HXK
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BU of 6hxk by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate
Descriptor: 1,2-ETHANEDIOL, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-10-17
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
4M04
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BU of 4m04 by Molmil
Human DNA Polymerase Mu ternary complex
Descriptor: 1,2-ETHANEDIOL, 2'-DEOXYURIDINE 5'-ALPHA,BETA-IMIDO-TRIPHOSPHATE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2013-08-01
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.898 Å)
Cite:Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4MAT
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BU of 4mat by Molmil
E.COLI METHIONINE AMINOPEPTIDASE HIS79ALA MUTANT
Descriptor: PROTEIN (METHIONINE AMINOPEPTIDASE), SODIUM ION
Authors:Lowther, W.T, Orville, A.M, Madden, D.T, Lim, S, Rich, D.H, Matthews, B.W.
Deposit date:1999-03-29
Release date:1999-06-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Escherichia coli methionine aminopeptidase: implications of crystallographic analyses of the native, mutant, and inhibited enzymes for the mechanism of catalysis.
Biochemistry, 38, 1999
4LZD
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BU of 4lzd by Molmil
Human DNA polymerase mu- Apoenzyme
Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2013-07-31
Release date:2014-02-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4M7U
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BU of 4m7u by Molmil
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)
Descriptor: Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bourne, C.R.
Deposit date:2013-08-12
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1014 Å)
Cite:The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking.
Biochemistry, 53, 2014
4LZG
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BU of 4lzg by Molmil
Binary complex of human DNA Polymerase Mu with DNA
Descriptor: CHLORIDE ION, DNA-directed DNA/RNA polymerase mu, GLYCEROL, ...
Authors:Moon, A.F, Pryor, J.M, Ramsden, D.A, Kunkel, T.A, Bebenek, K, Pedersen, L.C.
Deposit date:2013-07-31
Release date:2014-02-05
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Sustained active site rigidity during synthesis by human DNA polymerase mu.
Nat.Struct.Mol.Biol., 21, 2014
4M7V
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BU of 4m7v by Molmil
Dihydrofolate reductase from Enterococcus faecalis complexed with NADP(H)and RAB-propyl
Descriptor: 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, Dihydrofolate reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Bourne, C.R.
Deposit date:2013-08-12
Release date:2014-03-05
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The Structure and Competitive Substrate Inhibition of Dihydrofolate Reductase from Enterococcus faecalis Reveal Restrictions to Cofactor Docking.
Biochemistry, 53, 2014
6CIK
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BU of 6cik by Molmil
Pre-Reaction Complex, RAG1(E962Q)/2-intact/nicked 12/23RSS complex in Mn2+
Descriptor: DNA (5'-D(*AP*TP*CP*TP*GP*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 12RSS substrate forward strand, ...
Authors:Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
Deposit date:2018-02-24
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
6CIM
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BU of 6cim by Molmil
Pre-Reaction Complex, RAG1(E962Q)/2-nicked/intact 12/23RSS complex in Mn2+
Descriptor: DNA (5'-D(*GP*CP*CP*TP*GP*TP*CP*TP*TP*A)-3'), High mobility group protein B1, Intact 23RSS substrate forward strand, ...
Authors:Chuenchor, W, Chen, X, Kim, M.S, Gellert, M, Yang, W.
Deposit date:2018-02-24
Release date:2018-04-25
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Cracking the DNA Code for V(D)J Recombination.
Mol. Cell, 70, 2018
6JMW
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BU of 6jmw by Molmil
Structure of the Chromium Protoporphyrin IX-Reconstituted CYP102A1 Haem Domain with N-Abietoyl-L-Tryptophan
Descriptor: (2S)-2-[[(1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]carbonylamino]-3-( 1H-indol-3-yl)propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, Chromium Protoporphyrin IX, ...
Authors:Stanfield, J.K, Omura, K, Kasai, C, Sugimoto, H, Shiro, Y, Watanabe, Y, Shoji, O.
Deposit date:2019-03-13
Release date:2020-03-18
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystals in Minutes: Instant On-Site Microcrystallisation of Various Flavours of the CYP102A1 (P450BM3) Haem Domain.
Angew.Chem.Int.Ed.Engl., 59, 2020
6H03
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BU of 6h03 by Molmil
OPEN CONFORMATION OF THE MEMBRANE ATTACK COMPLEX
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Complement C5,Complement C5, ...
Authors:Menny, A, Serna, M, Boyd, C.M, Gardner, S, Joseph, A.P, Topf, M, Bubeck, D.
Deposit date:2018-07-06
Release date:2018-12-19
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (5.6 Å)
Cite:CryoEM reveals how the complement membrane attack complex ruptures lipid bilayers.
Nat Commun, 9, 2018
6HXL
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BU of 6hxl by Molmil
Structure of the citryl-CoA lyase core module of human ATP citrate lyase in complex with citrate and CoASH (space group P21)
Descriptor: 1,2-ETHANEDIOL, ATP-citrate synthase, CITRATE ANION, ...
Authors:Verstraete, K, Verschueren, K.
Deposit date:2018-10-17
Release date:2019-04-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Structure of ATP citrate lyase and the origin of citrate synthase in the Krebs cycle.
Nature, 568, 2019
6CRM
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BU of 6crm by Molmil
Crystal Structure of RecQ catalytic core from C. sakazakii bound to an unfolded G-quadruplex
Descriptor: DNA (5'-D(P*GP*GP*GP*TP*CP*GP*GP*TP*GP*CP*CP*TP*TP*A)-3'), RecQ, ZINC ION
Authors:Voter, A.F, Keck, J.L.
Deposit date:2018-03-19
Release date:2018-10-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.19286251 Å)
Cite:A guanine-flipping and sequestration mechanism for G-quadruplex unwinding by RecQ helicases.
Nat Commun, 9, 2018
7NH9
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BU of 7nh9 by Molmil
structure of the full-length CmaX protein
Descriptor: CmaX protein
Authors:Stetsenko, A, Stehantsev, P, Guskov, A.
Deposit date:2021-02-10
Release date:2021-07-07
Last modified:2024-05-01
Method:ELECTRON MICROSCOPY (3.03 Å)
Cite:Structural and biochemical characterization of a novel ZntB (CmaX) transporter protein from Pseudomonas aeruginosa.
Int.J.Biol.Macromol., 184, 2021
6HS5
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BU of 6hs5 by Molmil
N-terminal domain including the conserved ImpA_N region of the TssA component of the type VI secretion system from Burkholderia cenocepacia
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, TssA
Authors:Dix, S.R, Owen, H.J, Sun, R, Ahmad, A, Shastri, S, Spiewak, H.L, Mosby, D.J, Harris, M.J, Batters, S.L, Brooker, T.A, Tzokov, S.B, Sedelnikova, S.E, Baker, P.J, Bullough, P.A, Rice, D.W, Thomas, M.S.
Deposit date:2018-09-28
Release date:2018-11-21
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural insights into the function of type VI secretion system TssA subunits.
Nat Commun, 9, 2018
6BZ5
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BU of 6bz5 by Molmil
Structure and mechanism of salicylate hydroxylase from Pseudomonas putida G7
Descriptor: 1,2-ETHANEDIOL, GLYCEROL, IODIDE ION, ...
Authors:Nagem, R.A.P, Costa, D.M.A.
Deposit date:2017-12-22
Release date:2018-12-26
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Catalytic mechanism for the conversion of salicylate into catechol by the flavin-dependent monooxygenase salicylate hydroxylase.
Int.J.Biol.Macromol., 129, 2019
7MBO
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BU of 7mbo by Molmil
FACTOR XIA (PICHIA PASTORIS; C500S [C122S]) IN COMPLEX WITH THE INHIBITOR Milvexian (BMS-986177), IUPAC NAME:(6R,10S)-10-{4-[5-chloro-2-(4-chloro-1H-1,2,3-triazol-1-yl)phenyl]-6- oxopyrimidin-1(6H)-yl}-1-(difluoromethyl)-6-methyl-1,4,7,8,9,10-hexahydro-15,11- (metheno)pyrazolo[4,3-b][1,7]diazacyclotetradecin-5(6H)-one
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Coagulation factor XIa light chain, Milvexian
Authors:Sheriff, S.
Deposit date:2021-04-01
Release date:2021-09-15
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (0.924 Å)
Cite:Discovery of Milvexian, a High-Affinity, Orally Bioavailable Inhibitor of Factor XIa in Clinical Studies for Antithrombotic Therapy.
J.Med.Chem., 65, 2022
4JHW
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BU of 4jhw by Molmil
Crystal Structure of Respiratory Syncytial Virus Fusion Glycoprotein Stabilized in the Prefusion Conformation by Human Antibody D25
Descriptor: D25 antigen-binding fragment heavy chain, D25 light chain, Fusion glycoprotein F0
Authors:Mclellan, J.S, Chen, M, Leung, S, Graepel, K.W, Du, X, Yang, Y, Zhou, T, Baxa, U, Yasuda, E, Beaumont, T, Kumar, A, Modjarrad, K, Zheng, Z, Zhao, M, Xia, N, Kwong, P.D, Graham, B.S.
Deposit date:2013-03-05
Release date:2013-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structure of RSV fusion glycoprotein trimer bound to a prefusion-specific neutralizing antibody.
Science, 340, 2013

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數據於2024-11-06公開中

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